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

Systemtic Name: methyl 5-methyl-2-[[(1-methylsulfonylpiperidin-4-yl)carbonylamino]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H26N4O5S3 MolecularWeight: 510.64994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C)C(=O)OC)C3=CC=CC=C3

InChI

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