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

Systemtic Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,6-diethylphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2,6-diethylphenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S2/c1-5-12-8-7-9-13(6-2)15(12)19-18(23)20-16-14(17(21)22-4)10-11(3)24-16/h7-10H,5-6H2,1-4H3,(H2,19,20,23)