ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(p-phenetylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OCC

InChI

InChI=1S/C18H22N2O3S2/c1-5-22-14-9-7-13(8-10-14)19-18(24)20-16-15(17(21)23-6-2)11(3)12(4)25-16/h7-10H,5-6H2,1-4H3,(H2,19,20,24)