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

Systemtic Name: 4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)butanamide Openeye Name: 4-[3-(2,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)butanamide CAS Name: 4-[[3-(2,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methylphenyl)butanamide IUPAC Name: 4-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)butanamide Traditional Name: 4-[[3-(2,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(p-tolyl)butyramide Formula: C25H21Cl2N3O2S MolecularWeight: 498.42414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H21Cl2N3O2S/c1-16-8-11-18(12-9-16)28-23(31)7-4-14-33-25-29-21-6-3-2-5-19(21)24(32)30(25)22-13-10-17(26)15-20(22)27/h2-3,5-6,8-13,15H,4,7,14H2,1H3,(H,28,31)