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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)C4=CC=CC=C4

InChI

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