N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]benzamide

Systemtic Name: N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]benzamide Openeye Name: N-[(2-isobutyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: N-[[[2-(2-methylpropyl)-5-tetrazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]benzamide Traditional Name: N-[(2-isobutyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C13H16N6OS MolecularWeight: 304.37074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N6OS/c1-9(2)8-19-17-12(16-18-19)15-13(21)14-11(20)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,17,20,21)