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

Systemtic Name: methyl 5-ethyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(1-phenylethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H20N2O2S2/c1-4-13-10-14(16(20)21-3)15(23-13)19-17(22)18-11(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H2,18,19,22)