2-(1,3-benzothiazol-2-yl)-2-octyl-butanebis(thioic S-acid)

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-octyl-butanebis(thioic S-acid) Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-octyl-butanebis(thioic S-acid) CAS Name: 2-(1,3-benzothiazol-2-yl)-2-octylbutanebis(thioic S-acid) IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-octylbutanebis(thioic S-acid) Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-octyl-butanebis(thioic S-acid) Formula: C19H25NO2S3 MolecularWeight: 395.6023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=O)S)(C1=NC2=CC=CC=C2S1)C(=O)S

Isomeric SMILES

CCCCCCCCC(CC(=O)S)(C1=NC2=CC=CC=C2S1)C(=O)S

InChI

InChI=1S/C19H25NO2S3/c1-2-3-4-5-6-9-12-19(18(22)24,13-16(21)23)17-20-14-10-7-8-11-15(14)25-17/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,21,23)(H,22,24)