ethyl 5-(phenylmethyl)-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(3-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(3-pyridylmethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C21H21N3O2S2/c1-2-26-20(25)18-12-17(11-15-7-4-3-5-8-15)28-19(18)24-21(27)23-14-16-9-6-10-22-13-16/h3-10,12-13H,2,11,14H2,1H3,(H2,23,24,27)