3-bromanyl-N-(heptylcarbamothioyl)-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-(heptylcarbamothioyl)-4-hexoxy-benzamide Openeye Name: 3-bromo-N-(heptylcarbamothioyl)-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(heptylamino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-(heptylcarbamothioyl)-4-hexoxybenzamide Traditional Name: 3-bromo-N-(heptylthiocarbamoyl)-4-hexoxy-benzamide Formula: C21H33BrN2O2S MolecularWeight: 457.46792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCCCCC)Br

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCCCCC)Br

InChI

InChI=1S/C21H33BrN2O2S/c1-3-5-7-9-10-14-23-21(27)24-20(25)17-12-13-19(18(22)16-17)26-15-11-8-6-4-2/h12-13,16H,3-11,14-15H2,1-2H3,(H2,23,24,25,27)