3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium-2-sulfinamide

Systemtic Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium-2-sulfinamide Openeye Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium-2-sulfinamide CAS Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium-2-sulfinamide IUPAC Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium-2-sulfinamide Traditional Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium-2-sulfinamide Formula: C19H29N2OS2+ MolecularWeight: 365.57636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2(C(SC3=CC=CC=C32)S(=O)N)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)[N+]2(C(SC3=CC=CC=C32)S(=O)N)C4CCCCC4

InChI

InChI=1S/C19H29N2OS2/c20-24(22)19-21(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-18(17)23-19/h7-8,13-16,19H,1-6,9-12,20H2/q+1