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

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenyl-acetamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)-2-phenylacetamide IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C29H22ClN3O3S MolecularWeight: 528.02128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H22ClN3O3S/c1-36-23-14-8-12-21(18-23)31-27(34)26(19-9-3-2-4-10-19)37-29-32-25-16-6-5-15-24(25)28(35)33(29)22-13-7-11-20(30)17-22/h2-18,26H,1H3,(H,31,34)