5-bromanyl-N-(heptylcarbamothioyl)-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-(heptylcarbamothioyl)-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-(heptylcarbamothioyl)-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[(heptylamino)-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-(heptylcarbamothioyl)-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-(heptylthiocarbamoyl)-2-isoamoxy-benzamide Formula: C20H31BrN2O2S MolecularWeight: 443.44134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31BrN2O2S/c1-4-5-6-7-8-12-22-20(26)23-19(24)17-14-16(21)9-10-18(17)25-13-11-15(2)3/h9-10,14-15H,4-8,11-13H2,1-3H3,(H2,22,23,24,26)