N-[2-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]ethanamide

Systemtic Name: N-[2-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]ethanamide Openeye Name: N-[2-[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylethyl]acetamide CAS Name: N-[2-[[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]ethyl]acetamide IUPAC Name: N-[2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]acetamide Traditional Name: N-[2-[[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]ethyl]acetamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCCNC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCCNC(=O)C

InChI

InChI=1S/C20H20ClN3O3S/c1-12-10-17(18(27-3)11-15(12)21)24-19(26)14-6-4-5-7-16(14)23-20(24)28-9-8-22-13(2)25/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)