2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide

Systemtic Name: 2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)CCC4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O2S/c1-18(15-16-20-9-4-3-5-10-20)29-25(32)17-34-27-30-23-13-7-6-11-21(23)26(33)31(27)24-14-8-12-22(28)19(24)2/h3-14,18H,15-17H2,1-2H3,(H,29,32)