methyl 3-[[(4-methylphenyl)sulfonylamino]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(4-methylphenyl)sulfonylamino]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(p-tolylsulfonylamino)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[(4-methylphenyl)sulfonylhydrazo]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(4-methylphenyl)sulfonylamino]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(tosylamino)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C14H15N3O4S3 MolecularWeight: 385.4816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C14H15N3O4S3/c1-9-3-5-10(6-4-9)24(19,20)17-16-14(22)15-11-7-8-23-12(11)13(18)21-2/h3-8,17H,1-2H3,(H2,15,16,22)