3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-homoveratryl-2-thioxo-1H-quinazolin-4-one Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC3=CC(=C(C=C3)OC)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC3=CC(=C(C=C3)OC)OC)OCC

InChI

InChI=1S/C22H26N2O5S/c1-5-28-19-12-15-16(13-20(19)29-6-2)23-22(30)24(21(15)25)10-9-14-7-8-17(26-3)18(11-14)27-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,30)