N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-bromo-benzamide CAS Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-2-bromobenzamide IUPAC Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-bromobenzamide Traditional Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-2-bromo-benzamide Formula: C26H25BrN4OS MolecularWeight: 521.4719

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C26H25BrN4OS/c27-23-7-3-1-5-21(23)26(32)28-20-11-9-19(10-12-20)13-14-30-15-17-31(18-16-30)25-22-6-2-4-8-24(22)33-29-25/h1-12H,13-18H2,(H,28,32)