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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C

InChI

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