1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-methylpiperazino)propyl]isonipecotamide Formula: C23H34BrN5O2S MolecularWeight: 524.51736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)C)Br

Isomeric SMILES

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)C)Br

InChI

InChI=1S/C23H34BrN5O2S/c1-3-31-20-16-21-19(15-18(20)24)26-23(32-21)29-9-5-17(6-10-29)22(30)25-7-4-8-28-13-11-27(2)12-14-28/h15-17H,3-14H2,1-2H3,(H,25,30)