N-(4-butylphenyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S/c1-3-4-7-20-12-14-21(15-13-20)28-25(31)18-33-27-29-24-9-6-5-8-23(24)26(32)30(27)22-16-10-19(2)11-17-22/h5-6,8-17H,3-4,7,18H2,1-2H3,(H,28,31)