methyl 3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(4-pyridylmethyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(4-pyridylmethyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C17H20N4O3S/c1-24-16(22)15-14(4-11-25-15)19-17(23)21-9-7-20(8-10-21)12-13-2-5-18-6-3-13/h2-6,11H,7-10,12H2,1H3,(H,19,23)