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

Systemtic Name: 1,3-benzothiazole; [pentylsulfanyl(sulfino)amino]cyclohexane Openeye Name: 1,3-benzothiazole; [pentylsulfanyl(sulfino)amino]cyclohexane CAS Name: 1,3-benzothiazole; [(pentylthio)-sulfinoamino]cyclohexane IUPAC Name: 1,3-benzothiazole; [pentylsulfanyl(sulfino)amino]cyclohexane Traditional Name: [(amylthio)-sulfino-amino]cyclohexane; 1,3-benzothiazole Formula: C18H28N2O2S3 MolecularWeight: 400.62212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H23NO2S2.C7H5NS/c1-2-3-7-10-15-12(16(13)14)11-8-5-4-6-9-11;1-2-4-7-6(3-1)8-5-9-7/h11H,2-10H2,1H3,(H,13,14);1-5H