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

Systemtic Name: 4-ethoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C14H18N6O2S MolecularWeight: 334.39672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C14H18N6O2S/c1-3-9-20-18-13(17-19-20)16-14(23)15-12(21)10-5-7-11(8-6-10)22-4-2/h5-8H,3-4,9H2,1-2H3,(H2,15,16,18,21,23)