2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C27H25ClN4O4S2 MolecularWeight: 569.0948

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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)N5CCCC5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN4O4S2/c1-18-8-11-20(16-23(18)28)32-26(34)22-6-2-3-7-24(22)30-27(32)37-17-25(33)29-19-9-12-21(13-10-19)38(35,36)31-14-4-5-15-31/h2-3,6-13,16H,4-5,14-15,17H2,1H3,(H,29,33)