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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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