3-bromanyl-N-(heptylcarbamothioyl)-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-(heptylcarbamothioyl)-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-(heptylcarbamothioyl)-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[(heptylamino)-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-(heptylcarbamothioyl)-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-(heptylthiocarbamoyl)-4-isopropoxy-benzamide Formula: C18H27BrN2O2S MolecularWeight: 415.38818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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