(E,2Z)-2-(hexadecylcarbamothioylhydrazinylidene)-4-phenyl-but-3-enoic acid

Systemtic Name: (E,2Z)-2-(hexadecylcarbamothioylhydrazinylidene)-4-phenyl-but-3-enoic acid Openeye Name: (E,2Z)-2-(hexadecylcarbamothioylhydrazono)-4-phenyl-but-3-enoic acid CAS Name: (E,2Z)-2-[[(hexadecylamino)-sulfanylidenemethyl]hydrazinylidene]-4-phenyl-3-butenoic acid IUPAC Name: (E,2Z)-2-(hexadecylcarbamothioylhydrazinylidene)-4-phenylbut-3-enoic acid Traditional Name: (E,2Z)-2-(cetylthiocarbamoylhydrazono)-4-phenyl-but-3-enoic acid Formula: C27H43N3O2S MolecularWeight: 473.71422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NN=C(C=CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)N/N=C(/C=C/C1=CC=CC=C1)\C(=O)O

InChI

InChI=1S/C27H43N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-28-27(33)30-29-25(26(31)32)22-21-24-19-16-15-17-20-24/h15-17,19-22H,2-14,18,23H2,1H3,(H,31,32)(H2,28,30,33)/b22-21+,29-25-