ethyl 2-(phenethylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(phenethylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(phenethylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(phenethylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(phenethylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(phenethylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2S2/c1-2-26-21(25)19-18(17-11-7-4-8-12-17)15-28-20(19)24-22(27)23-14-13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H2,23,24,27)