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

Systemtic Name: ethyl 2-[[(1-methylsulfonylpiperidin-4-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(1-methylsulfonylpiperidine-4-carbonyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(1-methylsulfonylpiperidine-4-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(1-mesylisonipecotoyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N4O5S3 MolecularWeight: 510.64994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S3/c1-3-30-20(27)16-13-17(14-7-5-4-6-8-14)32-19(16)22-21(31)24-23-18(26)15-9-11-25(12-10-15)33(2,28)29/h4-8,13,15H,3,9-12H2,1-2H3,(H,23,26)(H2,22,24,31)