7,8-dimethoxy-3-(2-methylsulfanylethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-dimethoxy-3-(2-methylsulfanylethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7,8-dimethoxy-3-(2-methylsulfanylethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7,8-dimethoxy-3-[2-(methylthio)ethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7,8-dimethoxy-3-(2-methylsulfanylethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7,8-dimethoxy-3-[2-(methylthio)ethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(C(=O)N2)CCSC)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(C(=O)N2)CCSC)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N2O3S/c1-24-17-11-14-16(12-18(17)25-2)22-20(23)15(9-10-26-3)21-19(14)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,22,23)