propyl 4-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[ethyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[ethyl(phenyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S2/c1-3-16-30-21(27)15-14-20(26)24-22(31)23-17-10-12-19(13-11-17)32(28,29)25(4-2)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H2,23,24,26,31)