N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-2-[(2,5-dimethylphenyl)thio]nicotinamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NC3CCN(CC3)CC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NC3CCN(CC3)CC(=O)N

InChI

InChI=1S/C21H26N4O2S/c1-14-5-6-15(2)18(12-14)28-21-17(4-3-9-23-21)20(27)24-16-7-10-25(11-8-16)13-19(22)26/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3,(H2,22,26)(H,24,27)