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

Systemtic Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-bromanyl-benzamide Openeye Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-bromo-benzamide CAS Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-4-bromobenzamide IUPAC Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-bromobenzamide Traditional Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-4-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=C(C=C3)Br)C4=NSC5=CC=CC=C54

Isomeric SMILES

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

InChI

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