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

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(1-naphthyl)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C28H26N2O5S2 MolecularWeight: 534.64644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H26N2O5S2/c1-4-35-27(32)25-21(19-12-13-22(33-2)23(14-19)34-3)16-37-26(25)30-28(36)29-24(31)15-18-10-7-9-17-8-5-6-11-20(17)18/h5-14,16H,4,15H2,1-3H3,(H2,29,30,31,36)