(3S)-N-butyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide

Systemtic Name: (3S)-N-butyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Openeye Name: (3S)-N-butyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide CAS Name: (3S)-N-butyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide IUPAC Name: (3S)-N-butyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Traditional Name: (3S)-N-butyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Formula: C20H31N3S MolecularWeight: 345.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC(N(CC2=CC=CC=C21)CC=C(C)C)C

Isomeric SMILES

CCCCNC(=S)N1C[C@@H](N(CC2=CC=CC=C21)CC=C(C)C)C

InChI

InChI=1S/C20H31N3S/c1-5-6-12-21-20(24)23-14-17(4)22(13-11-16(2)3)15-18-9-7-8-10-19(18)23/h7-11,17H,5-6,12-15H2,1-4H3,(H,21,24)/t17-/m0/s1