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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-(4-phenoxybutanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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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)CCCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=S)NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O5S2/c1-3-31-24(29)22-20(17-11-13-18(30-2)14-12-17)16-34-23(22)27-25(33)26-21(28)10-7-15-32-19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H2,26,27,28,33)