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

Systemtic Name: propyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[cyclohexyl(methyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H31N3O5S2 MolecularWeight: 469.61794

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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(C)C2CCCCC2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2CCCCC2

InChI

InChI=1S/C21H31N3O5S2/c1-3-15-29-20(26)14-13-19(25)23-21(30)22-16-9-11-18(12-10-16)31(27,28)24(2)17-7-5-4-6-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H2,22,23,25,30)