methyl 5-(dimethylcarbamoyl)-2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[1-(4-ethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[1-(4-ethoxyphenyl)ethylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(1-p-phenetylethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C21H27N3O4S2/c1-7-28-15-10-8-14(9-11-15)13(3)22-21(29)23-18-16(20(26)27-6)12(2)17(30-18)19(25)24(4)5/h8-11,13H,7H2,1-6H3,(H2,22,23,29)