dimethyl 3-methyl-5-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(1-piperidylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(piperidinomethyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H27N3O4S2/c1-14-17(20(26)28-2)19(31-18(14)21(27)29-3)24-22(30)23-16-9-7-15(8-10-16)13-25-11-5-4-6-12-25/h7-10H,4-6,11-13H2,1-3H3,(H2,23,24,30)