Nepicastat

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via JSmol

Physical properties []
Molecular mass	295.35 g/mol [1]
Predicted LogP	1.4 [1]

Structural Identifiers []
Molecular formula	C14H15F2N3S [1]
IUPAC name	4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione [1]
SMILES	C1CC2=C(C[C@H]1N3C(=CNC3=S)CN)C=C(C=C2F)F [1]
InChI	InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1 [1]
InChIKey	YZZVIKDAOTXDEB-JTQLQIEISA-N [1]

Nepicastat

Nepicastat (also known as nepicastatum, SYN-117, 5-(Aminomethyl)-1-((S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthyl)-4-imidazoline-2-thione, Rs-25560-197, (S)-5-aminomethyl-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydroimidazole-2-thione, (S)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-dihydro-2h-imidazole-2-thione, 5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-dihydro-2H-imidazole-2-thione, 5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3H-imidazole-2-thione, 5-(aminomethyl)-1-((2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydro-2H-imidazole-2-thione or 5-(aminomethyl)-1-((2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-imidazole-2-thione) is a substance of the amphetamine class.

Chemistry