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

Systemtic Name: (3S)-N-cyclohexyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Openeye Name: (3S)-N-cyclohexyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide CAS Name: (3S)-N-cyclohexyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide IUPAC Name: (3S)-N-cyclohexyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Traditional Name: (3S)-N-cyclohexyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Formula: C22H33N3S MolecularWeight: 371.58252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2CN1CC=C(C)C)C(=S)NC3CCCCC3

Isomeric SMILES

C[C@H]1CN(C2=CC=CC=C2CN1CC=C(C)C)C(=S)NC3CCCCC3

InChI

InChI=1S/C22H33N3S/c1-17(2)13-14-24-16-19-9-7-8-12-21(19)25(15-18(24)3)22(26)23-20-10-5-4-6-11-20/h7-9,12-13,18,20H,4-6,10-11,14-16H2,1-3H3,(H,23,26)/t18-/m0/s1