N-cyclopentyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-cyclopentyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-cyclopentyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-cyclopentyl-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-cyclopentyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-cyclopentyl-2-[[2-keto-2-(phenethylamino)ethyl]thio]nicotinamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=C(N=CC=C2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=O)C2=C(N=CC=C2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c25-19(22-14-12-16-7-2-1-3-8-16)15-27-21-18(11-6-13-23-21)20(26)24-17-9-4-5-10-17/h1-3,6-8,11,13,17H,4-5,9-10,12,14-15H2,(H,22,25)(H,24,26)