N-[2-(2-methylpropanoylamino)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)ethyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-2-(phenylthio)nicotinamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O2S/c1-13(2)16(22)19-11-12-20-17(23)15-9-6-10-21-18(15)24-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,20,23)