3-pentyl-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzenecarbothioamide

Systemtic Name: 3-pentyl-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzenecarbothioamide Openeye Name: 3-pentyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzenecarbothioamide CAS Name: 3-pentyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzenecarbothioamide IUPAC Name: 3-pentyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzenecarbothioamide Traditional Name: 3-amyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]thiobenzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC(=C1)C(=S)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

Isomeric SMILES

CCCCCC1=CC=CC(=C1)C(=S)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

InChI

InChI=1S/C21H23N5O2S/c1-2-3-4-7-14-8-5-9-15(12-14)21(29)22-16-10-6-11-17-19(16)28-18(13-27-17)20-23-25-26-24-20/h5-6,8-12,18H,2-4,7,13H2,1H3,(H,22,29)(H,23,24,25,26)