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

Systemtic Name: methyl 5-phenyl-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[2-(1-piperidyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[2-(1-piperidinyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(2-piperidin-1-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(2-piperidinoethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-25-19(24)16-14-17(15-8-4-2-5-9-15)27-18(16)22-20(26)21-10-13-23-11-6-3-7-12-23/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H2,21,22,26)