7-chloranyl-3-methyl-4-oxidanylidene-N-prop-2-enyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carbothioamide

Systemtic Name: 7-chloranyl-3-methyl-4-oxidanylidene-N-prop-2-enyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carbothioamide Openeye Name: N-allyl-7-chloro-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-1-carbothioamide CAS Name: 7-chloro-3-methyl-4-oxo-N-prop-2-enyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carbothioamide IUPAC Name: 7-chloro-3-methyl-4-oxo-N-prop-2-enyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carbothioamide Traditional Name: N-allyl-7-chloro-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carbothioamide Formula: C14H16ClN3OS MolecularWeight: 309.81434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(C=C(C=C2)Cl)NC1=O)C(=S)NCC=C

Isomeric SMILES

CC1CN(C2=C(C=C(C=C2)Cl)NC1=O)C(=S)NCC=C

InChI

InChI=1S/C14H16ClN3OS/c1-3-6-16-14(20)18-8-9(2)13(19)17-11-7-10(15)4-5-12(11)18/h3-5,7,9H,1,6,8H2,2H3,(H,16,20)(H,17,19)