6,9-bis(chloranyl)-5-(4-propan-2-ylphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 6,9-bis(chloranyl)-5-(4-propan-2-ylphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 6,9-dichloro-5-(4-isopropylphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 6,9-dichloro-5-(4-propan-2-ylphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 6,9-dichloro-5-(4-propan-2-ylphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 6,9-dichloro-5-p-cumenyl-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C18H16Cl2N2S MolecularWeight: 363.30404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NCC(=S)NC3=C(C=CC(=C32)Cl)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NCC(=S)NC3=C(C=CC(=C32)Cl)Cl

InChI

InChI=1S/C18H16Cl2N2S/c1-10(2)11-3-5-12(6-4-11)17-16-13(19)7-8-14(20)18(16)22-15(23)9-21-17/h3-8,10H,9H2,1-2H3,(H,22,23)