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

Systemtic Name: 1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-[ethyl-(phenylmethyl)amino]propyl]piperidine-4-carboxamide Openeye Name: N-[3-[benzyl(ethyl)amino]propyl]-1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-[ethyl-(phenylmethyl)amino]propyl]-4-piperidinecarboxamide IUPAC Name: N-[3-[benzyl(ethyl)amino]propyl]-1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[3-[benzyl(ethyl)amino]propyl]-1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C27H35BrN4O2S MolecularWeight: 559.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1CCN(CC1)C2=NC3=CC(=C(C=C3S2)OCC)Br)CC4=CC=CC=C4

Isomeric SMILES

CCN(CCCNC(=O)C1CCN(CC1)C2=NC3=CC(=C(C=C3S2)OCC)Br)CC4=CC=CC=C4

InChI

InChI=1S/C27H35BrN4O2S/c1-3-31(19-20-9-6-5-7-10-20)14-8-13-29-26(33)21-11-15-32(16-12-21)27-30-23-17-22(28)24(34-4-2)18-25(23)35-27/h5-7,9-10,17-18,21H,3-4,8,11-16,19H2,1-2H3,(H,29,33)