4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide

Systemtic Name: 4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide Openeye Name: 4-[3-(2,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide CAS Name: 4-[[3-(2,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(1-phenylethyl)butanamide IUPAC Name: 4-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylethyl)butanamide Traditional Name: 4-[[3-(2,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-phenylethyl)butyramide Formula: C26H23Cl2N3O2S MolecularWeight: 512.45072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H23Cl2N3O2S/c1-17(18-8-3-2-4-9-18)29-24(32)12-7-15-34-26-30-22-11-6-5-10-20(22)25(33)31(26)23-14-13-19(27)16-21(23)28/h2-6,8-11,13-14,16-17H,7,12,15H2,1H3,(H,29,32)