ethyl 4-(4-methoxyphenyl)-2-(2-phenylsulfanylethanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-(2-phenylsulfanylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-[(2-phenylsulfanylacetyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[[[1-oxo-2-(phenylthio)ethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-[(2-phenylsulfanylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[[2-(phenylthio)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O4S3 MolecularWeight: 486.62678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S3/c1-3-29-22(27)20-18(15-9-11-16(28-2)12-10-15)13-32-21(20)25-23(30)24-19(26)14-31-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H2,24,25,26,30)