N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-N-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-N-homoveratryl-4-keto-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)NC1=S

InChI

InChI=1S/C22H25N3O4S/c1-5-25-21(27)16-8-7-15(13-17(16)23-22(25)30)20(26)24(2)11-10-14-6-9-18(28-3)19(12-14)29-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,30)