2-(4-methoxyphenyl)sulfanyl-N-[3-oxidanylidene-3-(pyridin-2-ylamino)propyl]propanamide

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-N-[3-oxidanylidene-3-(pyridin-2-ylamino)propyl]propanamide Openeye Name: 2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(2-pyridylamino)propyl]propanamide CAS Name: 2-[(4-methoxyphenyl)thio]-N-[3-oxo-3-(2-pyridinylamino)propyl]propanamide IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide Traditional Name: N-[3-keto-3-(2-pyridylamino)propyl]-2-[(4-methoxyphenyl)thio]propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC(=O)NC1=CC=CC=N1)SC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)NCCC(=O)NC1=CC=CC=N1)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21N3O3S/c1-13(25-15-8-6-14(24-2)7-9-15)18(23)20-12-10-17(22)21-16-5-3-4-11-19-16/h3-9,11,13H,10,12H2,1-2H3,(H,20,23)(H,19,21,22)