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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23Cl2N3O2S/c27-19-12-13-23(21(28)17-19)31-25(33)20-9-4-5-10-22(20)30-26(31)34-16-6-11-24(32)29-15-14-18-7-2-1-3-8-18/h1-5,7-10,12-13,17H,6,11,14-16H2,(H,29,32)