ethyl 5-(phenylmethyl)-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[2-(1-piperidyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[2-(1-piperidinyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(2-piperidinoethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCN3CCCCC3

InChI

InChI=1S/C22H29N3O2S2/c1-2-27-21(26)19-16-18(15-17-9-5-3-6-10-17)29-20(19)24-22(28)23-11-14-25-12-7-4-8-13-25/h3,5-6,9-10,16H,2,4,7-8,11-15H2,1H3,(H2,23,24,28)