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

Systemtic Name: ethyl 5-phenyl-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[2-(1-piperidyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[2-(1-piperidinyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(2-piperidinoethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-2-26-20(25)17-15-18(16-9-5-3-6-10-16)28-19(17)23-21(27)22-11-14-24-12-7-4-8-13-24/h3,5-6,9-10,15H,2,4,7-8,11-14H2,1H3,(H2,22,23,27)