2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-[(2,4,5-trimethoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-(2,4,5-trimethoxybenzyl)nicotinamide Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C2=C(N=CC=C2)SCC(=O)N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C2=C(N=CC=C2)SCC(=O)N)OC)OC

InChI

InChI=1S/C18H21N3O5S/c1-24-13-8-15(26-3)14(25-2)7-11(13)9-21-17(23)12-5-4-6-20-18(12)27-10-16(19)22/h4-8H,9-10H2,1-3H3,(H2,19,22)(H,21,23)