N-[2-[2-(2-azanylethylamino)-2-oxidanylidene-ethyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[2-(2-azanylethylamino)-2-oxidanylidene-ethyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-[2-(2-aminoethylamino)-2-oxo-ethyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[2-(2-aminoethylamino)-2-keto-ethyl]phenyl]-2-(phenylthio)nicotinamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=CC=C3CC(=O)NCCN

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=CC=C3CC(=O)NCCN

InChI

InChI=1S/C22H22N4O2S/c23-12-14-24-20(27)15-16-7-4-5-11-19(16)26-21(28)18-10-6-13-25-22(18)29-17-8-2-1-3-9-17/h1-11,13H,12,14-15,23H2,(H,24,27)(H,26,28)