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

Systemtic Name: phenyl 4-(aminocarbonylamino)-3-(methoxycarbonylcarbamothioylamino)benzenesulfonate Openeye Name: phenyl 3-(methoxycarbonylcarbamothioylamino)-4-ureido-benzenesulfonate CAS Name: 4-(carbamoylamino)-3-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(carbamoylamino)-3-(methoxycarbonylcarbamothioylamino)benzenesulfonate Traditional Name: 3-(carbomethoxythiocarbamoylamino)-4-ureido-benzenesulfonic acid phenyl ester Formula: C16H16N4O6S2 MolecularWeight: 424.45144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O6S2/c1-25-16(22)20-15(27)19-13-9-11(7-8-12(13)18-14(17)21)28(23,24)26-10-5-3-2-4-6-10/h2-9H,1H3,(H3,17,18,21)(H2,19,20,22,27)