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

Systemtic Name: methyl 4,5-dimethyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[4-(1-piperidylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(piperidinomethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-14-15(2)28-19(18(14)20(25)26-3)23-21(27)22-17-9-7-16(8-10-17)13-24-11-5-4-6-12-24/h7-10H,4-6,11-13H2,1-3H3,(H2,22,23,27)