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

Systemtic Name: 1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]piperidine-4-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)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-[(phenylmethyl)-propan-2-ylamino]propyl]-4-piperidinecarboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C28H37BrN4O2S MolecularWeight: 573.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCN(CC4=CC=CC=C4)C(C)C)Br

Isomeric SMILES

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCN(CC4=CC=CC=C4)C(C)C)Br

InChI

InChI=1S/C28H37BrN4O2S/c1-4-35-25-18-26-24(17-23(25)29)31-28(36-26)32-15-11-22(12-16-32)27(34)30-13-8-14-33(20(2)3)19-21-9-6-5-7-10-21/h5-7,9-10,17-18,20,22H,4,8,11-16,19H2,1-3H3,(H,30,34)