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

Systemtic Name: 2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: N-[4-methyl-2-(1-piperidylsulfonyl)phenyl]-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-(4-methyl-2-piperidinosulfonyl-phenyl)acetamide Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)C)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H30N4O4S2/c1-20-10-13-22(14-11-20)33-28(35)23-8-4-5-9-24(23)31-29(33)38-19-27(34)30-25-15-12-21(2)18-26(25)39(36,37)32-16-6-3-7-17-32/h4-5,8-15,18H,3,6-7,16-17,19H2,1-2H3,(H,30,34)