7-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-methyl-heptan-3-amine

Systemtic Name: 7-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-methyl-heptan-3-amine Openeye Name: 7-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-methyl-heptan-3-amine CAS Name: 7-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-methyl-3-heptanamine IUPAC Name: 7-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-2-methylheptan-3-amine Traditional Name: [5-[[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]oxy]-1-isopropyl-pentyl]amine Formula: C21H25ClN2OS MolecularWeight: 388.954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(C)C(CCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C21H25ClN2OS/c1-14(2)19(23)5-3-4-12-25-17-10-11-18-20(13-17)26-24-21(18)15-6-8-16(22)9-7-15/h6-11,13-14,19H,3-5,12,23H2,1-2H3