4-[4-(propylcarbamoylamino)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: 4-[4-(propylcarbamoylamino)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 4-[4-(propylcarbamoylamino)phenyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: 4-[4-[[oxo(propylamino)methyl]amino]phenyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: 4-[4-(propylcarbamoylamino)phenyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: 4-[4-(propylcarbamoylamino)phenyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC=C(C=C1)C2=C(C(=NC=C2)SCC3=CC=NC=C3)C(=O)N

Isomeric SMILES

CCCNC(=O)NC1=CC=C(C=C1)C2=C(C(=NC=C2)SCC3=CC=NC=C3)C(=O)N

InChI

InChI=1S/C22H23N5O2S/c1-2-10-26-22(29)27-17-5-3-16(4-6-17)18-9-13-25-21(19(18)20(23)28)30-14-15-7-11-24-12-8-15/h3-9,11-13H,2,10,14H2,1H3,(H2,23,28)(H2,26,27,29)