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

Systemtic Name: phenethyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[cyclohexyl(methyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C26H33N3O5S2 MolecularWeight: 531.68732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O5S2/c1-29(22-10-6-3-7-11-22)36(32,33)23-14-12-21(13-15-23)27-26(35)28-24(30)16-17-25(31)34-19-18-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,22H,3,6-7,10-11,16-19H2,1H3,(H2,27,28,30,35)