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

Systemtic Name: 2-methoxyethyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[cyclohexyl(methyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H31N3O6S2 MolecularWeight: 485.61734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C21H31N3O6S2/c1-24(17-6-4-3-5-7-17)32(27,28)18-10-8-16(9-11-18)22-21(31)23-19(25)12-13-20(26)30-15-14-29-2/h8-11,17H,3-7,12-15H2,1-2H3,(H2,22,23,25,31)