ethyl 4-(4-bromophenyl)-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H27BrN2O4S2 MolecularWeight: 575.53758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)COC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)COC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C26H27BrN2O4S2/c1-5-32-25(31)23-21(17-6-8-18(27)9-7-17)14-35-24(23)29-26(34)28-22(30)13-33-19-10-11-20(15(2)3)16(4)12-19/h6-12,14-15H,5,13H2,1-4H3,(H2,28,29,30,34)