3-(4-bromophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]-1,2-benzothiazole

Systemtic Name: 3-(4-bromophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]-1,2-benzothiazole Openeye Name: 3-(4-bromophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]-1,2-benzothiazole CAS Name: 3-(4-bromophenyl)-6-[3-(4-methyl-1-piperazinyl)propoxy]-1,2-benzothiazole IUPAC Name: 3-(4-bromophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]-1,2-benzothiazole Traditional Name: 3-(4-bromophenyl)-6-[3-(4-methylpiperazino)propoxy]-1,2-benzothiazole Formula: C21H24BrN3OS MolecularWeight: 446.40376

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1CCN(CC1)CCCOC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H24BrN3OS/c1-24-10-12-25(13-11-24)9-2-14-26-18-7-8-19-20(15-18)27-23-21(19)16-3-5-17(22)6-4-16/h3-8,15H,2,9-14H2,1H3