methyl 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[2-[4-(2-chlorophenyl)-1-piperazinyl]ethylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[2-[4-(2-chlorophenyl)piperazino]ethylcarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C19H23ClN4O3S MolecularWeight: 422.92892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H23ClN4O3S/c1-27-18(25)17-15(6-13-28-17)22-19(26)21-7-8-23-9-11-24(12-10-23)16-5-3-2-4-14(16)20/h2-6,13H,7-12H2,1H3,(H2,21,22,26)