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

Systemtic Name: 4-heptyl-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzenecarbothioamide Openeye Name: 4-heptyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzenecarbothioamide CAS Name: 4-heptyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzenecarbothioamide IUPAC Name: 4-heptyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]benzenecarbothioamide Traditional Name: 4-heptyl-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]thiobenzamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=S)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=S)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

InChI

InChI=1S/C23H27N5O2S/c1-2-3-4-5-6-8-16-11-13-17(14-12-16)23(31)24-18-9-7-10-19-21(18)30-20(15-29-19)22-25-27-28-26-22/h7,9-14,20H,2-6,8,15H2,1H3,(H,24,31)(H,25,26,27,28)