methyl 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-[4-(2-methoxyphenyl)piperazino]propylcarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H28N4O4S/c1-28-18-7-4-3-6-17(18)25-13-11-24(12-14-25)10-5-9-22-21(27)23-16-8-15-30-19(16)20(26)29-2/h3-4,6-8,15H,5,9-14H2,1-2H3,(H2,22,23,27)