N-phenyl-6-(pyridin-4-ylcarbamothioylamino)hexanamide

Systemtic Name: N-phenyl-6-(pyridin-4-ylcarbamothioylamino)hexanamide Openeye Name: N-phenyl-6-(4-pyridylcarbamothioylamino)hexanamide CAS Name: N-phenyl-6-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]hexanamide IUPAC Name: N-phenyl-6-(pyridin-4-ylcarbamothioylamino)hexanamide Traditional Name: N-phenyl-6-(4-pyridylthiocarbamoylamino)hexanamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCNC(=S)NC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCNC(=S)NC2=CC=NC=C2

InChI

InChI=1S/C18H22N4OS/c23-17(21-15-7-3-1-4-8-15)9-5-2-6-12-20-18(24)22-16-10-13-19-14-11-16/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12H2,(H,21,23)(H2,19,20,22,24)