3-[3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]sulfanyl-N-(pyridin-4-ylmethyl)propanamide

Systemtic Name: 3-[3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]sulfanyl-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 3-[3-oxo-3-(4-pyridylmethylamino)propyl]sulfanyl-N-(4-pyridylmethyl)propanamide CAS Name: 3-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]thio]-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 3-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]sulfanyl-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 3-[[3-keto-3-(4-pyridylmethylamino)propyl]thio]-N-(4-pyridylmethyl)propionamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNC(=O)CCSCCC(=O)NCC2=CC=NC=C2

Isomeric SMILES

C1=CN=CC=C1CNC(=O)CCSCCC(=O)NCC2=CC=NC=C2

InChI

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