2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(2S)-2-phenylbutyl]pyridine-3-carboxamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(2S)-2-phenylbutyl]pyridine-3-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[(2S)-2-phenylbutyl]pyridine-3-carboxamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-[(2S)-2-phenylbutyl]-3-pyridinecarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-[(2S)-2-phenylbutyl]pyridine-3-carboxamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-[(2S)-2-phenylbutyl]nicotinamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(N=CC=C1)SCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)C1=C(N=CC=C1)SCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O2S/c1-2-13(14-7-4-3-5-8-14)11-21-17(23)15-9-6-10-20-18(15)24-12-16(19)22/h3-10,13H,2,11-12H2,1H3,(H2,19,22)(H,21,23)/t13-/m1/s1