N-[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: N-[(4-isopropylphenyl)-(2-thienyl)methyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: N-[p-cumenyl(2-thienyl)methyl]-1-(2-pyrimidyl)nipecotamide Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C24H28N4OS/c1-17(2)18-8-10-19(11-9-18)22(21-7-4-15-30-21)27-23(29)20-6-3-14-28(16-20)24-25-12-5-13-26-24/h4-5,7-13,15,17,20,22H,3,6,14,16H2,1-2H3,(H,27,29)