N-(4-butylphenyl)-2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C27H26ClN3O2S/c1-3-4-7-19-11-13-20(14-12-19)29-25(32)17-34-27-30-24-9-6-5-8-22(24)26(33)31(27)21-15-10-18(2)23(28)16-21/h5-6,8-16H,3-4,7,17H2,1-2H3,(H,29,32)