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

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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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(=CC=C4)S(=O)(=O)N5CCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C

InChI

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