methyl 2-[1-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(2,5-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[1-(2,5-dimethoxyphenyl)ethylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC(C)C2=C(C=CC(=C2)OC)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC(C)C2=C(C=CC(=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C18H22N2O4S2/c1-10-8-14(17(21)24-5)16(26-10)20-18(25)19-11(2)13-9-12(22-3)6-7-15(13)23-4/h6-9,11H,1-5H3,(H2,19,20,25)