N-hexadecyl-2-methylsulfanyl-1,3-benzothiazole-5-sulfonamide

Systemtic Name: N-hexadecyl-2-methylsulfanyl-1,3-benzothiazole-5-sulfonamide Openeye Name: N-hexadecyl-2-methylsulfanyl-1,3-benzothiazole-5-sulfonamide CAS Name: N-hexadecyl-2-(methylthio)-1,3-benzothiazole-5-sulfonamide IUPAC Name: N-hexadecyl-2-methylsulfanyl-1,3-benzothiazole-5-sulfonamide Traditional Name: N-cetyl-2-(methylthio)-1,3-benzothiazole-5-sulfonamide Formula: C24H40N2O2S3 MolecularWeight: 484.7816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNS(=O)(=O)C1=CC2=C(C=C1)SC(=N2)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCNS(=O)(=O)C1=CC2=C(C=C1)SC(=N2)SC

InChI

InChI=1S/C24H40N2O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-31(27,28)21-17-18-23-22(20-21)26-24(29-2)30-23/h17-18,20,25H,3-16,19H2,1-2H3