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

Systemtic Name: N-[3-(pyrazin-2-ylamino)propylcarbamothioyl]benzamide Openeye Name: N-[3-(pyrazin-2-ylamino)propylcarbamothioyl]benzamide CAS Name: N-[[3-(2-pyrazinylamino)propylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[3-(pyrazin-2-ylamino)propylcarbamothioyl]benzamide Traditional Name: N-[3-(pyrazin-2-ylamino)propylthiocarbamoyl]benzamide Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NCCCNC2=NC=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NCCCNC2=NC=CN=C2

InChI

InChI=1S/C15H17N5OS/c21-14(12-5-2-1-3-6-12)20-15(22)19-8-4-7-17-13-11-16-9-10-18-13/h1-3,5-6,9-11H,4,7-8H2,(H,17,18)(H2,19,20,21,22)