6-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-cyclopropyl-hexan-1-amine

Systemtic Name: 6-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-cyclopropyl-hexan-1-amine Openeye Name: 6-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-cyclopropyl-hexan-1-amine CAS Name: 6-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-cyclopropyl-1-hexanamine IUPAC Name: 6-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-cyclopropylhexan-1-amine Traditional Name: [6-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-cyclopropyl-hexyl]amine Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(CCCCOC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)Cl)CN

Isomeric SMILES

C1CC1C(CCCCOC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)Cl)CN

InChI

InChI=1S/C22H25ClN2OS/c23-18-8-6-16(7-9-18)22-20-11-10-19(13-21(20)27-25-22)26-12-2-1-3-17(14-24)15-4-5-15/h6-11,13,15,17H,1-5,12,14,24H2