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

Systemtic Name: 4-(4-methoxyphenyl)-7-phenylsulfanyl-1,3-dihydro-1,5-benzodiazepine-2-thione Openeye Name: 4-(4-methoxyphenyl)-7-phenylsulfanyl-1,3-dihydro-1,5-benzodiazepine-2-thione CAS Name: 4-(4-methoxyphenyl)-7-(phenylthio)-1,3-dihydro-1,5-benzodiazepine-2-thione IUPAC Name: 4-(4-methoxyphenyl)-7-phenylsulfanyl-1,3-dihydro-1,5-benzodiazepine-2-thione Traditional Name: 4-(4-methoxyphenyl)-7-(phenylthio)-1,3-dihydro-1,5-benzodiazepine-2-thione Formula: C22H18N2OS2 MolecularWeight: 390.52112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)SC4=CC=CC=C4)NC(=S)C2

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)SC4=CC=CC=C4)NC(=S)C2

InChI

InChI=1S/C22H18N2OS2/c1-25-16-9-7-15(8-10-16)20-14-22(26)24-19-12-11-18(13-21(19)23-20)27-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,24,26)