methyl 2-[(3-ethanoylphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-ethanoylphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-acetylphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-acetylphenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3-acetylphenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)C)C

InChI

InChI=1S/C18H20N2O3S2/c1-5-14-11(3)25-16(15(14)17(22)23-4)20-18(24)19-13-8-6-7-12(9-13)10(2)21/h6-9H,5H2,1-4H3,(H2,19,20,24)