3-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]sulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[3-oxo-3-(3-pyridylmethylamino)propyl]sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: 3-[[3-oxo-3-(3-pyridinylmethylamino)propyl]thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[[3-keto-3-(3-pyridylmethylamino)propyl]thio]-N-(3-pyridylmethyl)propionamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CCSCCC(=O)NCC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CCSCCC(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C18H22N4O2S/c23-17(21-13-15-3-1-7-19-11-15)5-9-25-10-6-18(24)22-14-16-4-2-8-20-12-16/h1-4,7-8,11-12H,5-6,9-10,13-14H2,(H,21,23)(H,22,24)