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

Systemtic Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-N-propyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Openeye Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-N-propyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide CAS Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-N-propyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide IUPAC Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-N-propyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Traditional Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-N-propyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Formula: C19H29N3S MolecularWeight: 331.51866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3S/c1-5-11-20-19(23)22-13-16(4)21(12-10-15(2)3)14-17-8-6-7-9-18(17)22/h6-10,16H,5,11-14H2,1-4H3,(H,20,23)/t16-/m0/s1