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

Systemtic Name: 1,3-benzothiazole; [octylsulfanyl(sulfino)amino]cyclohexane Openeye Name: 1,3-benzothiazole; [octylsulfanyl(sulfino)amino]cyclohexane CAS Name: 1,3-benzothiazole; [(octylthio)-sulfinoamino]cyclohexane IUPAC Name: 1,3-benzothiazole; [octylsulfanyl(sulfino)amino]cyclohexane Traditional Name: 1,3-benzothiazole; [(octylthio)-sulfino-amino]cyclohexane Formula: C21H34N2O2S3 MolecularWeight: 442.70186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29NO2S2.C7H5NS/c1-2-3-4-5-6-10-13-18-15(19(16)17)14-11-8-7-9-12-14;1-2-4-7-6(3-1)8-5-9-7/h14H,2-13H2,1H3,(H,16,17);1-5H