5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)pentanamide

Systemtic Name: 5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)pentanamide Openeye Name: 5-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)pentanamide CAS Name: 5-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3,4-dimethylphenyl)pentanamide IUPAC Name: 5-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)pentanamide Traditional Name: 5-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3,4-dimethylphenyl)valeramide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl)C

InChI

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