ethyl 5-ethyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H29N3O3S/c1-3-18-14-19(22(27)28-4-2)21(29-18)23-20(26)16-25-12-10-24(11-13-25)15-17-8-6-5-7-9-17/h5-9,14H,3-4,10-13,15-16H2,1-2H3,(H,23,26)