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

Systemtic Name: 2-[3-(2-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-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-keto-3-(o-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)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C)S(=O)(=O)N5CCCCC5

InChI

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