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

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

Isomeric SMILES

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

InChI

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