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

Systemtic Name: 2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4S2/c1-20(2)21-9-13-23(14-10-21)33-28(35)25-7-3-4-8-26(25)31-29(33)38-19-27(34)30-22-11-15-24(16-12-22)39(36,37)32-17-5-6-18-32/h3-4,7-16,20H,5-6,17-19H2,1-2H3,(H,30,34)