(3S)-N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-o-phenetyl-1-(2-pyrimidyl)nipecotamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(C2=NC3=CC=CC=C3S2)C(=O)C4CCCN(C4)C5=NC=CC=N5

Isomeric SMILES

CCOC1=CC=CC=C1N(C2=NC3=CC=CC=C3S2)C(=O)[C@H]4CCCN(C4)C5=NC=CC=N5

InChI

InChI=1S/C25H25N5O2S/c1-2-32-21-12-5-4-11-20(21)30(25-28-19-10-3-6-13-22(19)33-25)23(31)18-9-7-16-29(17-18)24-26-14-8-15-27-24/h3-6,8,10-15,18H,2,7,9,16-17H2,1H3/t18-/m0/s1