ethyl 2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-(o-tolyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-[4-(2-methylphenyl)-1-piperazinyl]ethylamino]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethylcarbamoylamino]thiophene-3-carboxylate Traditional Name: 2-[2-[4-(o-tolyl)piperazino]ethylcarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C21H28N4O3S/c1-3-28-20(26)17-8-15-29-19(17)23-21(27)22-9-10-24-11-13-25(14-12-24)18-7-5-4-6-16(18)2/h4-8,15H,3,9-14H2,1-2H3,(H2,22,23,27)