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

Systemtic Name: ethyl 5-methyl-2-[[(1-methylsulfonylpiperidin-4-yl)carbonylamino]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[(1-methylsulfonylpiperidine-4-carbonyl)amino]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[(1-methylsulfonylpiperidine-4-carbonyl)amino]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(1-mesylisonipecotoyl)amino]thiocarbamoylamino]-5-methyl-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N4O5S3/c1-4-31-21(28)18-17(15-8-6-5-7-9-15)14(2)33-20(18)23-22(32)25-24-19(27)16-10-12-26(13-11-16)34(3,29)30/h5-9,16H,4,10-13H2,1-3H3,(H,24,27)(H2,23,25,32)