(9E,12E)-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)octadeca-9,12-dienamide

Systemtic Name: (9E,12E)-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)octadeca-9,12-dienamide Openeye Name: (9E,12E)-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)octadeca-9,12-dienamide CAS Name: (9E,12E)-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)octadeca-9,12-dienamide IUPAC Name: (9E,12E)-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)octadeca-9,12-dienamide Traditional Name: (9E,12E)-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)octadeca-9,12-dienamide Formula: C25H36N2OS2 MolecularWeight: 444.69614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NC1=CC2=C(C=C1)NC(=S)S2

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NC1=CC2=C(C=C1)NC(=S)S2

InChI

InChI=1S/C25H36N2OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)26-21-18-19-22-23(20-21)30-25(29)27-22/h6-7,9-10,18-20H,2-5,8,11-17H2,1H3,(H,26,28)(H,27,29)/b7-6+,10-9+