N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]octanamide CAS Name: N-[[4-[methyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]octanamide Traditional Name: N-[[4-[methyl(phenyl)sulfamoyl]phenyl]thiocarbamoyl]caprylamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2

InChI

InChI=1S/C22H29N3O3S2/c1-3-4-5-6-10-13-21(26)24-22(29)23-18-14-16-20(17-15-18)30(27,28)25(2)19-11-8-7-9-12-19/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H2,23,24,26,29)