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

Systemtic Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-N-prop-2-enyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Openeye Name: (3S)-N-allyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide CAS Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-N-prop-2-enyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide IUPAC Name: (3S)-3-methyl-4-(3-methylbut-2-enyl)-N-prop-2-enyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Traditional Name: (3S)-N-allyl-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-1-carbothioamide Formula: C19H27N3S MolecularWeight: 329.50278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3S/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/h5-10,16H,1,11-14H2,2-4H3,(H,20,23)/t16-/m0/s1