(3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-1-(2-pyrimidyl)nipecotamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCCN(C4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(C2=NC3=CC=CC=C3S2)C(=O)[C@H]4CCCN(C4)C5=NC=CC=N5

InChI

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