2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C28H28N4O4S2/c1-20-9-3-6-12-25(20)32-27(34)23-10-4-5-11-24(23)30-28(32)37-19-26(33)29-21-13-15-22(16-14-21)38(35,36)31-17-7-2-8-18-31/h3-6,9-16H,2,7-8,17-19H2,1H3,(H,29,33)