2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-methyl-2-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-methyl-2-piperidinosulfonyl-phenyl)acetamide Formula: C30H32N4O4S2 MolecularWeight: 576.72948

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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(=C4)C)C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C30H32N4O4S2/c1-20-11-12-26(27(18-20)40(37,38)33-13-7-4-8-14-33)31-28(35)19-39-30-32-25-10-6-5-9-24(25)29(36)34(30)23-16-21(2)15-22(3)17-23/h5-6,9-12,15-18H,4,7-8,13-14,19H2,1-3H3,(H,31,35)