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

Systemtic Name: 4-phenylmethoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-benzyloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 4-phenylmethoxy-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-phenylmethoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-benzoxy-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20N6O2S/c1-2-12-25-23-18(22-24-25)21-19(28)20-17(26)15-8-10-16(11-9-15)27-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,20,21,23,26,28)