2-[7-chloranyl-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: 2-[7-chloro-3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-2-phenyl-acetamide CAS Name: 2-[[7-chloro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: 2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropyl-2-phenylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C4=CC=CC=C4)C(=O)NC5CC5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C4=CC=CC=C4)C(=O)NC5CC5

InChI

InChI=1S/C26H22ClN3O3S/c1-33-22-10-6-5-9-21(22)30-25(32)19-14-11-17(27)15-20(19)29-26(30)34-23(16-7-3-2-4-8-16)24(31)28-18-12-13-18/h2-11,14-15,18,23H,12-13H2,1H3,(H,28,31)