2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazolin-2-yl]thio]-N-propargyl-acetamide Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-3-10-22-18(25)12-28-20-23-16-7-5-4-6-14(16)19(26)24(20)13-8-9-17(27-2)15(21)11-13/h1,4-9,11H,10,12H2,2H3,(H,22,25)