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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(2-butyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(2-butyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O2S/c1-2-3-12-26-24-19(23-25-26)22-20(29)21-18(27)16-10-7-11-17(13-16)28-14-15-8-5-4-6-9-15/h4-11,13H,2-3,12,14H2,1H3,(H2,21,22,24,27,29)