ethyl 5-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(1-phenylethylthiocarbamoylamino)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(=C1)C2=CC=CC=C2)NC(=S)NC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S2/c1-3-26-21(25)18-14-19(17-12-8-5-9-13-17)28-20(18)24-22(27)23-15(2)16-10-6-4-7-11-16/h4-15H,3H2,1-2H3,(H2,23,24,27)