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

Systemtic Name: 3-bromanyl-N-(hexadecylcarbamothioyl)-4-hexoxy-benzamide Openeye Name: 3-bromo-N-(hexadecylcarbamothioyl)-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(hexadecylamino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-(hexadecylcarbamothioyl)-4-hexoxybenzamide Traditional Name: 3-bromo-N-(cetylthiocarbamoyl)-4-hexoxy-benzamide Formula: C30H51BrN2O2S MolecularWeight: 583.70714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H51BrN2O2S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-23-32-30(36)33-29(34)26-21-22-28(27(31)25-26)35-24-20-8-6-4-2/h21-22,25H,3-20,23-24H2,1-2H3,(H2,32,33,34,36)