N-[(4-methoxyphenyl)carbamoyl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-methoxyphenyl)carbamoyl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide CAS Name: N-[(4-methoxyanilino)-oxomethyl]-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(4-methoxyphenyl)carbamoyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-[(4-methoxyphenyl)carbamoyl]acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4O4S/c1-13(2)25-19(27)16-6-4-5-7-17(16)23-21(25)30-12-18(26)24-20(28)22-14-8-10-15(29-3)11-9-14/h4-11,13H,12H2,1-3H3,(H2,22,24,26,28)