3-bromanyl-N-(hexadecylcarbamothioyl)-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-(hexadecylcarbamothioyl)-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-(hexadecylcarbamothioyl)-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[(hexadecylamino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-(hexadecylcarbamothioyl)-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-(cetylthiocarbamoyl)-4-isobutoxy-benzamide Formula: C28H47BrN2O2S MolecularWeight: 555.65398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47BrN2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-28(34)31-27(32)24-18-19-26(25(29)21-24)33-22-23(2)3/h18-19,21,23H,4-17,20,22H2,1-3H3,(H2,30,31,32,34)