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

Systemtic Name: (3S)-N-ethyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Openeye Name: (3S)-N-ethyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide CAS Name: (3S)-N-ethyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide IUPAC Name: (3S)-N-ethyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Traditional Name: (3S)-N-ethyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Formula: C18H27N3S MolecularWeight: 317.49208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3S/c1-5-19-18(22)21-12-15(4)20(11-10-14(2)3)13-16-8-6-7-9-17(16)21/h6-10,15H,5,11-13H2,1-4H3,(H,19,22)/t15-/m0/s1