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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(2-naphthalen-1-ylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(1-naphthyl)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-naphthalen-1-ylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H21BrN2O3S2 MolecularWeight: 553.49054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21BrN2O3S2/c1-2-32-25(31)23-21(17-10-12-19(27)13-11-17)15-34-24(23)29-26(33)28-22(30)14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13,15H,2,14H2,1H3,(H2,28,29,30,33)