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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4S2/c1-20-10-13-23(18-21(20)2)33-28(35)25-8-4-5-9-26(25)31-29(33)38-19-27(34)30-22-11-14-24(15-12-22)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)