N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]butanamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]butyramide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C21H22ClN3O4S/c1-5-18(19(26)23-15-10-13(22)16(28-3)11-17(15)29-4)30-21-24-14-9-7-6-8-12(14)20(27)25(21)2/h6-11,18H,5H2,1-4H3,(H,23,26)