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

Systemtic Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromanyl-2-methoxy-6-oxidanyl-benzamide hydrochloride Openeye Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromo-6-hydroxy-2-methoxy-benzamide hydrochloride CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3-bromo-6-hydroxy-2-methoxybenzamide hydrochloride IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-bromo-6-hydroxy-2-methoxybenzamide hydrochloride Traditional Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-3-bromo-6-hydroxy-2-methoxy-benzamide hydrochloride Formula: C23H28BrClN4O3S MolecularWeight: 555.91542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43)O)Br.Cl

Isomeric SMILES

COC1=C(C=CC(=C1C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43)O)Br.Cl

InChI

InChI=1S/C23H27BrN4O3S.ClH/c1-31-21-17(24)8-9-18(29)20(21)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