N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromanyl-6-methoxy-2-oxidanyl-benzamide chloride

Systemtic Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromanyl-6-methoxy-2-oxidanyl-benzamide chloride Openeye Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromo-2-hydroxy-6-methoxy-benzamide chloride CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3-bromo-2-hydroxy-6-methoxybenzamide chloride IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromo-2-hydroxy-6-methoxybenzamide chloride Traditional Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-3-bromo-2-hydroxy-6-methoxy-benzamide chloride Formula: C23H27BrClN4O3S- MolecularWeight: 554.90748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)O)C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43.[Cl-]

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)O)C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43.[Cl-]

InChI

InChI=1S/C23H27BrN4O3S.ClH/c1-31-18-9-8-17(24)21(29)20(18)23(30)25-10-4-5-11-27-12-14-28(15-13-27)22-16-6-2-3-7-19(16)32-26-22;/h2-3,6-9,29H,4-5,10-15H2,1H3,(H,25,30);1H/p-1