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

Systemtic Name: ethyl 2-(1-phenylethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1-phenylethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2S2/c1-3-27-22(26)20-15-19(14-17-10-6-4-7-11-17)29-21(20)25-23(28)24-16(2)18-12-8-5-9-13-18/h4-13,15-16H,3,14H2,1-2H3,(H2,24,25,28)