4-(4-bromophenyl)-7-(2-methoxyphenyl)sulfanyl-1,3-dihydro-1,5-benzodiazepine-2-thione

Systemtic Name: 4-(4-bromophenyl)-7-(2-methoxyphenyl)sulfanyl-1,3-dihydro-1,5-benzodiazepine-2-thione Openeye Name: 4-(4-bromophenyl)-7-(2-methoxyphenyl)sulfanyl-1,3-dihydro-1,5-benzodiazepine-2-thione CAS Name: 4-(4-bromophenyl)-7-[(2-methoxyphenyl)thio]-1,3-dihydro-1,5-benzodiazepine-2-thione IUPAC Name: 4-(4-bromophenyl)-7-(2-methoxyphenyl)sulfanyl-1,3-dihydro-1,5-benzodiazepine-2-thione Traditional Name: 4-(4-bromophenyl)-7-[(2-methoxyphenyl)thio]-1,3-dihydro-1,5-benzodiazepine-2-thione Formula: C22H17BrN2OS2 MolecularWeight: 469.41718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SC2=CC3=C(C=C2)NC(=S)CC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1SC2=CC3=C(C=C2)NC(=S)CC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2OS2/c1-26-20-4-2-3-5-21(20)28-16-10-11-17-19(12-16)24-18(13-22(27)25-17)14-6-8-15(23)9-7-14/h2-12H,13H2,1H3,(H,25,27)