5-bromanyl-N-(heptylcarbamothioyl)-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-(heptylcarbamothioyl)-2-propoxy-benzamide Openeye Name: 5-bromo-N-(heptylcarbamothioyl)-2-propoxy-benzamide CAS Name: 5-bromo-N-[(heptylamino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-(heptylcarbamothioyl)-2-propoxybenzamide Traditional Name: 5-bromo-N-(heptylthiocarbamoyl)-2-propoxy-benzamide Formula: C18H27BrN2O2S MolecularWeight: 415.38818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2O2S/c1-3-5-6-7-8-11-20-18(24)21-17(22)15-13-14(19)9-10-16(15)23-12-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H2,20,21,22,24)