ethyl 2-[[(1-methylsulfonylpiperidin-4-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(1-methylsulfonylpiperidin-4-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(1-methylsulfonylpiperidine-4-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(1-methylsulfonylpiperidine-4-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(1-mesylisonipecotoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28N4O5S3 MolecularWeight: 524.67652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N4O5S3/c1-3-31-21(28)18-14-17(13-15-7-5-4-6-8-15)33-20(18)23-22(32)25-24-19(27)16-9-11-26(12-10-16)34(2,29)30/h4-8,14,16H,3,9-13H2,1-2H3,(H,24,27)(H2,23,25,32)