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

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-[ethyl-(phenylmethyl)amino]propyl]piperidine-3-carboxamide Openeye Name: N-[3-[benzyl(ethyl)amino]propyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-[ethyl-(phenylmethyl)amino]propyl]-3-piperidinecarboxamide IUPAC Name: N-[3-[benzyl(ethyl)amino]propyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-[3-[benzyl(ethyl)amino]propyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)nipecotamide Formula: C27H36N4O2S MolecularWeight: 480.66534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1CCCN(C1)C2=NC3=C(S2)C=C(C=C3)OCC)CC4=CC=CC=C4

Isomeric SMILES

CCN(CCCNC(=O)C1CCCN(C1)C2=NC3=C(S2)C=C(C=C3)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2S/c1-3-30(19-21-10-6-5-7-11-21)16-9-15-28-26(32)22-12-8-17-31(20-22)27-29-24-14-13-23(33-4-2)18-25(24)34-27/h5-7,10-11,13-14,18,22H,3-4,8-9,12,15-17,19-20H2,1-2H3,(H,28,32)