(2-azanyl-2-oxidanylidene-ethyl) N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioate Openeye Name: (2-amino-2-oxo-ethyl) N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioate CAS Name: N-[4-[[[(2-chlorophenyl)sulfonylamino]-oxomethyl]sulfamoyl]phenyl]carbamodithioic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioate Traditional Name: N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioic acid (2-amino-2-keto-ethyl) ester Formula: C16H15ClN4O6S4 MolecularWeight: 523.0265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)S(=O)(=O)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)SCC(=O)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)S(=O)(=O)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)SCC(=O)N)Cl

InChI

InChI=1S/C16H15ClN4O6S4/c17-12-3-1-2-4-13(12)31(26,27)21-15(23)20-30(24,25)11-7-5-10(6-8-11)19-16(28)29-9-14(18)22/h1-8H,9H2,(H2,18,22)(H,19,28)(H2,20,21,23)