3-bromanyl-N-(hexadecylcarbamothioyl)-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-(hexadecylcarbamothioyl)-4-methoxy-benzamide Openeye Name: 3-bromo-N-(hexadecylcarbamothioyl)-4-methoxy-benzamide CAS Name: 3-bromo-N-[(hexadecylamino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-(hexadecylcarbamothioyl)-4-methoxybenzamide Traditional Name: 3-bromo-N-(cetylthiocarbamoyl)-4-methoxy-benzamide Formula: C25H41BrN2O2S MolecularWeight: 513.57424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41BrN2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-25(31)28-24(29)21-17-18-23(30-2)22(26)20-21/h17-18,20H,3-16,19H2,1-2H3,(H2,27,28,29,31)