ethyl 4,5-dimethyl-2-[2-(N-phenyl-C-piperidin-1-yl-carbonimidoyl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(N-phenyl-C-piperidin-1-yl-carbonimidoyl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[N-phenyl-C-(1-piperidyl)carbonimidoyl]sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[[phenylimino(1-piperidinyl)methyl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(N-phenyl-C-piperidin-1-ylcarbonimidoyl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(N-phenyl-C-piperidino-carbonimidoyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H29N3O3S2 MolecularWeight: 459.62466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C23H29N3O3S2/c1-4-29-22(28)20-16(2)17(3)31-21(20)25-19(27)15-30-23(26-13-9-6-10-14-26)24-18-11-7-5-8-12-18/h5,7-8,11-12H,4,6,9-10,13-15H2,1-3H3,(H,25,27)