N-(5-acetamido-2-methoxy-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC

InChI

InChI=1S/C21H22N4O4S/c1-12-5-7-16-15(9-12)20(28)25(3)21(24-16)30-11-19(27)23-17-10-14(22-13(2)26)6-8-18(17)29-4/h5-10H,11H2,1-4H3,(H,22,26)(H,23,27)