N-[3-(butylsulfamoyl)phenyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-[3-(butylsulfamoyl)phenyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-[3-(butylsulfamoyl)phenyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[3-(butylsulfamoyl)phenyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[3-(butylsulfamoyl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-[3-(butylsulfamoyl)phenyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C22H29N3O4S2/c1-4-5-13-23-31(28,29)20-8-6-7-19(14-20)25-22(27)17(3)30-15-21(26)24-18-11-9-16(2)10-12-18/h6-12,14,17,23H,4-5,13,15H2,1-3H3,(H,24,26)(H,25,27)