N-(3-chloranyl-4-methoxy-phenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-phenyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5CC5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5CC5)Cl

InChI

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