5-bromanyl-N-(hexadecylcarbamothioyl)-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-(hexadecylcarbamothioyl)-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-(hexadecylcarbamothioyl)-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(hexadecylamino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-(hexadecylcarbamothioyl)-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(cetylthiocarbamoyl)-2-phenethyloxy-benzamide Formula: C32H47BrN2O2S MolecularWeight: 603.69678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C32H47BrN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-34-32(38)35-31(36)29-26-28(33)21-22-30(29)37-25-23-27-19-16-15-17-20-27/h15-17,19-22,26H,2-14,18,23-25H2,1H3,(H2,34,35,36,38)