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

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3,4-dimethoxyphenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C18H22N2O4S2/c1-6-12-10(2)26-16(15(12)17(21)24-5)20-18(25)19-11-7-8-13(22-3)14(9-11)23-4/h7-9H,6H2,1-5H3,(H2,19,20,25)