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

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C28H32N2O4S2 MolecularWeight: 524.69468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H32N2O4S2/c1-7-33-27(32)25-23(20-9-8-17(4)18(5)12-20)15-36-26(25)30-28(35)29-24(31)14-34-21-10-11-22(16(2)3)19(6)13-21/h8-13,15-16H,7,14H2,1-6H3,(H2,29,30,31,35)