ethyl 2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(diethylthiocarbamoylthio)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O3S3 MolecularWeight: 512.70712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H28N2O3S3/c1-4-28(5-2)26(32)34-17-22(29)27-24-23(25(30)31-6-3)21(16-33-24)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-16H,4-6,17H2,1-3H3,(H,27,29)