4-[(2,4-dimethoxyphenyl)methyl]-7-methylsulfanyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

Systemtic Name: 4-[(2,4-dimethoxyphenyl)methyl]-7-methylsulfanyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 4-[(2,4-dimethoxyphenyl)methyl]-7-methylsulfanyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 4-[(2,4-dimethoxyphenyl)methyl]-7-(methylthio)-1,3-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 4-[(2,4-dimethoxyphenyl)methyl]-7-methylsulfanyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 4-(2,4-dimethoxybenzyl)-7-(methylthio)-1,3-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC(=O)NC3=C(C2=O)C=C(C=C3)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC(=O)NC3=C(C2=O)C=C(C=C3)SC)OC

InChI

InChI=1S/C19H20N2O4S/c1-24-13-5-4-12(17(8-13)25-2)10-21-11-18(22)20-16-7-6-14(26-3)9-15(16)19(21)23/h4-9H,10-11H2,1-3H3,(H,20,22)