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

Systemtic Name: 4-(4-methoxyphenyl)-7-(3-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione Openeye Name: 4-(4-methoxyphenyl)-7-(3-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione CAS Name: 4-(4-methoxyphenyl)-7-(3-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione IUPAC Name: 4-(4-methoxyphenyl)-7-(3-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione Traditional Name: 4-(4-methoxyphenyl)-7-(3-methylphenoxy)-1,3-dihydro-1,5-benzodiazepine-2-thione Formula: C23H20N2O2S MolecularWeight: 388.4821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC3=C(C=C2)NC(=S)CC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC3=C(C=C2)NC(=S)CC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H20N2O2S/c1-15-4-3-5-18(12-15)27-19-10-11-20-22(13-19)24-21(14-23(28)25-20)16-6-8-17(26-2)9-7-16/h3-13H,14H2,1-2H3,(H,25,28)