dimethyl 3-methyl-5-[[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(1-besylisonipecotoyl)amino]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H26N4O7S3 MolecularWeight: 554.65944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N4O7S3/c1-13-16(20(28)32-2)19(35-17(13)21(29)33-3)23-22(34)25-24-18(27)14-9-11-26(12-10-14)36(30,31)15-7-5-4-6-8-15/h4-8,14H,9-12H2,1-3H3,(H,24,27)(H2,23,25,34)