ethyl 2-(naphthalen-1-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(naphthalen-1-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(1-naphthylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(naphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1-naphthylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H22N2O2S2 MolecularWeight: 446.58438

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=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H22N2O2S2/c1-2-29-24(28)21-16-19(15-17-9-4-3-5-10-17)31-23(21)27-25(30)26-22-14-8-12-18-11-6-7-13-20(18)22/h3-14,16H,2,15H2,1H3,(H2,26,27,30)