ethyl 4-(4-ethoxyphenyl)-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-2-[[2-(1-naphthyl)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H26N2O4S2 MolecularWeight: 518.64704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H26N2O4S2/c1-3-33-21-14-12-19(13-15-21)23-17-36-26(25(23)27(32)34-4-2)30-28(35)29-24(31)16-20-10-7-9-18-8-5-6-11-22(18)20/h5-15,17H,3-4,16H2,1-2H3,(H2,29,30,31,35)