2-[(4-bromophenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-bromophenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(4-bromophenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(4-bromophenyl)-(1-piperazinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-bromophenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(4-bromophenyl)-piperazino-methyl]-1,3-benzothiazole Formula: C18H18BrN3S MolecularWeight: 388.32462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1)C(C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18BrN3S/c19-14-7-5-13(6-8-14)17(22-11-9-20-10-12-22)18-21-15-3-1-2-4-16(15)23-18/h1-8,17,20H,9-12H2