methyl 5-(diethylcarbamoyl)-2-[(2-methoxyphenyl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(2-methoxyphenyl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(2-methoxyphenyl)methylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(2-methoxyphenyl)methylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(o-anisylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=CC=C2OC)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=CC=C2OC)C(=O)OC)C

InChI

InChI=1S/C21H27N3O4S2/c1-6-24(7-2)19(25)17-13(3)16(20(26)28-5)18(30-17)23-21(29)22-12-14-10-8-9-11-15(14)27-4/h8-11H,6-7,12H2,1-5H3,(H2,22,23,29)