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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

InChI

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