N-[3-(pyridin-2-ylamino)propylcarbamothioyl]benzamide

Systemtic Name: N-[3-(pyridin-2-ylamino)propylcarbamothioyl]benzamide Openeye Name: N-[3-(2-pyridylamino)propylcarbamothioyl]benzamide CAS Name: N-[[3-(2-pyridinylamino)propylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[3-(pyridin-2-ylamino)propylcarbamothioyl]benzamide Traditional Name: N-[3-(2-pyridylamino)propylthiocarbamoyl]benzamide Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NCCCNC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NCCCNC2=CC=CC=N2

InChI

InChI=1S/C16H18N4OS/c21-15(13-7-2-1-3-8-13)20-16(22)19-12-6-11-18-14-9-4-5-10-17-14/h1-5,7-10H,6,11-12H2,(H,17,18)(H2,19,20,21,22)