ethyl 5-(3,4-dimethoxyphenyl)-3-(propylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(propylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(propylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 5-(3,4-dimethoxyphenyl)-3-[[propylamino(sulfanylidene)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(propylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(propylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(SC(=C1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

Isomeric SMILES

CCCNC(=S)NC1=C(SC(=C1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

InChI

InChI=1S/C19H24N2O4S2/c1-5-9-20-19(26)21-13-11-16(27-17(13)18(22)25-6-2)12-7-8-14(23-3)15(10-12)24-4/h7-8,10-11H,5-6,9H2,1-4H3,(H2,20,21,26)