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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC(=O)C2CCCN(C2)C3=NC4=C(S3)C=C(C=C4)OCC

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC(=O)C2CCCN(C2)C3=NC4=C(S3)C=C(C=C4)OCC

InChI

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