3-[[dodecyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[dodecyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[dodecyl-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[dodecyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[dodecyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[lauryl-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thione Formula: C28H37N3S4 MolecularWeight: 543.87348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CN1C2=CC=CC=C2SC1=S)CN3C4=CC=CC=C4SC3=S

Isomeric SMILES

CCCCCCCCCCCCN(CN1C2=CC=CC=C2SC1=S)CN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C28H37N3S4/c1-2-3-4-5-6-7-8-9-10-15-20-29(21-30-23-16-11-13-18-25(23)34-27(30)32)22-31-24-17-12-14-19-26(24)35-28(31)33/h11-14,16-19H,2-10,15,20-22H2,1H3