ethyl 2-(ethanoylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(ethanoylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(acetylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate CAS Name: 2-[[acetamido(sulfanylidene)methyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetylcarbamothioylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate Traditional Name: 2-(acetylthiocarbamoylamino)-4-(4-phenylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=S)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=S)NC(=O)C

InChI

InChI=1S/C22H20N2O3S2/c1-3-27-21(26)19-18(13-29-20(19)24-22(28)23-14(2)25)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H2,23,24,25,28)