methyl 2-[[4-(4-chloranylphenoxy)phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-chloranylphenoxy)phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-chlorophenoxy)phenyl]thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26ClN3O4S2 MolecularWeight: 532.07464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)OC)C

InChI

InChI=1S/C25H26ClN3O4S2/c1-5-29(6-2)23(30)21-15(3)20(24(31)32-4)22(35-21)28-25(34)27-17-9-13-19(14-10-17)33-18-11-7-16(26)8-12-18/h7-14H,5-6H2,1-4H3,(H2,27,28,34)