methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2,6-diethylphenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S2/c1-6-13-10-9-11-14(7-2)17(13)21-20(25)22-18-16(19(23)24-5)15(8-3)12(4)26-18/h9-11H,6-8H2,1-5H3,(H2,21,22,25)