1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide Openeye Name: N-(1-benzylpropyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(1-phenylbutan-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide Traditional Name: N-(1-benzylpropyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C25H31N3O2S MolecularWeight: 437.59754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OCC

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OCC

InChI

InChI=1S/C25H31N3O2S/c1-3-20(16-18-8-6-5-7-9-18)26-24(29)19-12-14-28(15-13-19)25-27-22-11-10-21(30-4-2)17-23(22)31-25/h5-11,17,19-20H,3-4,12-16H2,1-2H3,(H,26,29)