methyl 5-(dimethylcarbamoyl)-4-methyl-2-(nonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(nonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(nonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(nonylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(nonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(nonylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H33N3O3S2 MolecularWeight: 427.62432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C20H33N3O3S2/c1-6-7-8-9-10-11-12-13-21-20(27)22-17-15(19(25)26-5)14(2)16(28-17)18(24)23(3)4/h6-13H2,1-5H3,(H2,21,22,27)