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

Systemtic Name: 4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)butanamide Openeye Name: 4-[3-(2,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)butanamide CAS Name: 4-[[3-(2,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3,3-diphenylpropyl)butanamide IUPAC Name: 4-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)butanamide Traditional Name: 4-[[3-(2,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3,3-diphenylpropyl)butyramide Formula: C33H29Cl2N3O2S MolecularWeight: 602.57326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5

InChI

InChI=1S/C33H29Cl2N3O2S/c34-25-17-18-30(28(35)22-25)38-32(40)27-14-7-8-15-29(27)37-33(38)41-21-9-16-31(39)36-20-19-26(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-15,17-18,22,26H,9,16,19-21H2,(H,36,39)