ethyl 2-(phenylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(phenylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(phenylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S2/c1-2-25-20(24)18-14-17(13-15-9-5-3-6-10-15)27-19(18)23-21(26)22-16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H2,22,23,26)