5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide

Systemtic Name: 5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide Openeye Name: 5-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide CAS Name: 5-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(1-phenylethyl)pentanamide IUPAC Name: 5-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylethyl)pentanamide Traditional Name: 5-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-phenylethyl)valeramide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O2S/c1-19(20-10-3-2-4-11-20)29-25(32)16-7-8-17-34-27-30-24-15-6-5-14-23(24)26(33)31(27)22-13-9-12-21(28)18-22/h2-6,9-15,18-19H,7-8,16-17H2,1H3,(H,29,32)