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

Systemtic Name: 5-bromanyl-N-(hexadecylcarbamothioyl)-2-propoxy-benzamide Openeye Name: 5-bromo-N-(hexadecylcarbamothioyl)-2-propoxy-benzamide CAS Name: 5-bromo-N-[(hexadecylamino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-(hexadecylcarbamothioyl)-2-propoxybenzamide Traditional Name: 5-bromo-N-(cetylthiocarbamoyl)-2-propoxy-benzamide Formula: C27H45BrN2O2S MolecularWeight: 541.6274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45BrN2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-27(33)30-26(31)24-22-23(28)18-19-25(24)32-21-4-2/h18-19,22H,3-17,20-21H2,1-2H3,(H2,29,30,31,33)