methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(1-piperidylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[4-(piperidinomethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H34N4O3S2 MolecularWeight: 502.69246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)C(=O)OC)C

InChI

InChI=1S/C25H34N4O3S2/c1-5-29(6-2)23(30)21-17(3)20(24(31)32-4)22(34-21)27-25(33)26-19-12-10-18(11-13-19)16-28-14-8-7-9-15-28/h10-13H,5-9,14-16H2,1-4H3,(H2,26,27,33)