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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O2S/c1-14(2)12-26-24-19(23-25-26)22-20(29)21-18(27)16-9-6-10-17(11-16)28-13-15-7-4-3-5-8-15/h3-11,14H,12-13H2,1-2H3,(H2,21,22,24,27,29)