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

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3S/c1-11-4-6-16-14(8-11)19(28)25(3)20(24-16)29-10-18(27)23-13-5-7-17(15(21)9-13)22-12(2)26/h4-9H,10H2,1-3H3,(H,22,26)(H,23,27)