1-(1,3-benzoxazol-2-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]isonipecotamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4)C

InChI

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