N-[[cyclopropyl-(6-oxidanylidene-1H-pyridin-3-yl)methyl]-propyl-carbamothioyl]benzamide

Systemtic Name: N-[[cyclopropyl-(6-oxidanylidene-1H-pyridin-3-yl)methyl]-propyl-carbamothioyl]benzamide Openeye Name: N-[[cyclopropyl-(6-oxo-1H-pyridin-3-yl)methyl]-propyl-carbamothioyl]benzamide CAS Name: N-[[[cyclopropyl-(6-oxo-1H-pyridin-3-yl)methyl]-propylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[cyclopropyl-(6-oxo-1H-pyridin-3-yl)methyl]-propylcarbamothioyl]benzamide Traditional Name: N-[[cyclopropyl-(6-keto-1H-pyridin-3-yl)methyl]-propyl-thiocarbamoyl]benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C1CC1)C2=CNC(=O)C=C2)C(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN(C(C1CC1)C2=CNC(=O)C=C2)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-2-12-23(20(26)22-19(25)15-6-4-3-5-7-15)18(14-8-9-14)16-10-11-17(24)21-13-16/h3-7,10-11,13-14,18H,2,8-9,12H2,1H3,(H,21,24)(H,22,25,26)