ethyl 4-(3,4-dimethoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(phenylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S2/c1-4-28-21(25)19-16(14-10-11-17(26-2)18(12-14)27-3)13-30-20(19)24-22(29)23-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H2,23,24,29)