1,3-benzothiazole; [hexylsulfanyl(sulfino)amino]cyclohexane

Systemtic Name: 1,3-benzothiazole; [hexylsulfanyl(sulfino)amino]cyclohexane Openeye Name: 1,3-benzothiazole; [hexylsulfanyl(sulfino)amino]cyclohexane CAS Name: 1,3-benzothiazole; [(hexylthio)-sulfinoamino]cyclohexane IUPAC Name: 1,3-benzothiazole; [hexylsulfanyl(sulfino)amino]cyclohexane Traditional Name: 1,3-benzothiazole; [(hexylthio)-sulfino-amino]cyclohexane Formula: C19H30N2O2S3 MolecularWeight: 414.6487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSN(C1CCCCC1)S(=O)O.C1=CC=C2C(=C1)N=CS2

Isomeric SMILES

CCCCCCSN(C1CCCCC1)S(=O)O.C1=CC=C2C(=C1)N=CS2

InChI

InChI=1S/C12H25NO2S2.C7H5NS/c1-2-3-4-8-11-16-13(17(14)15)12-9-6-5-7-10-12;1-2-4-7-6(3-1)8-5-9-7/h12H,2-11H2,1H3,(H,14,15);1-5H