phenyl 4-(ethanoylcarbamoylamino)-3-(methoxycarbonylcarbamothioylamino)benzenesulfonate

Systemtic Name: phenyl 4-(ethanoylcarbamoylamino)-3-(methoxycarbonylcarbamothioylamino)benzenesulfonate Openeye Name: phenyl 4-(acetylcarbamoylamino)-3-(methoxycarbonylcarbamothioylamino)benzenesulfonate CAS Name: 4-[[acetamido(oxo)methyl]amino]-3-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(acetylcarbamoylamino)-3-(methoxycarbonylcarbamothioylamino)benzenesulfonate Traditional Name: 4-(acetylcarbamoylamino)-3-(carbomethoxythiocarbamoylamino)benzenesulfonic acid phenyl ester Formula: C18H18N4O7S2 MolecularWeight: 466.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

CC(=O)NC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C18H18N4O7S2/c1-11(23)19-16(24)20-14-9-8-13(10-15(14)21-17(30)22-18(25)28-2)31(26,27)29-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,20,23,24)(H2,21,22,25,30)