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

Systemtic Name: 3-bromanyl-N-(heptylcarbamothioyl)-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-(heptylcarbamothioyl)-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(heptylamino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-(heptylcarbamothioyl)-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-(heptylthiocarbamoyl)-4-isoamoxy-benzamide Formula: C20H31BrN2O2S MolecularWeight: 443.44134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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