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

Systemtic Name: ethyl 5-(phenylmethyl)-2-(piperidin-1-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(piperidine-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[1-piperidinyl(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(piperidine-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(piperidine-1-carbothioylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCCC3

InChI

InChI=1S/C20H24N2O2S2/c1-2-24-19(23)17-14-16(13-15-9-5-3-6-10-15)26-18(17)21-20(25)22-11-7-4-8-12-22/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,21,25)