3-bromanyl-4-tert-butyl-N-(hexadecylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-(hexadecylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-tert-butyl-N-(hexadecylcarbamothioyl)benzamide CAS Name: 3-bromo-4-tert-butyl-N-[(hexadecylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-(hexadecylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-tert-butyl-N-(cetylthiocarbamoyl)benzamide Formula: C28H47BrN2OS MolecularWeight: 539.65458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47BrN2OS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-27(33)31-26(32)23-19-20-24(25(29)22-23)28(2,3)4/h19-20,22H,5-18,21H2,1-4H3,(H2,30,31,32,33)