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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CC=N3

InChI

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