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

Systemtic Name: (3S)-N,3-dimethyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Openeye Name: (3S)-N,3-dimethyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide CAS Name: (3S)-N,3-dimethyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide IUPAC Name: (3S)-N,3-dimethyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Traditional Name: (3S)-N,3-dimethyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3S/c1-13(2)9-10-19-12-15-7-5-6-8-16(15)20(11-14(19)3)17(21)18-4/h5-9,14H,10-12H2,1-4H3,(H,18,21)/t14-/m0/s1