methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(2,6-diethylphenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C=C(S2)CC)C(=O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C=C(S2)CC)C(=O)OC

InChI

InChI=1S/C19H24N2O2S2/c1-5-12-9-8-10-13(6-2)16(12)20-19(24)21-17-15(18(22)23-4)11-14(7-3)25-17/h8-11H,5-7H2,1-4H3,(H2,20,21,24)