(2R)-N-(4-piperidin-1-ylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-piperidin-1-ylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-[4-(1-piperidyl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[4-(1-piperidinyl)phenyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2R)-N-(4-piperidin-1-ylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(4-piperidinophenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propionamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC(C)C(=O)NC2=CC=C(C=C2)N3CCCCC3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)S[C@H](C)C(=O)NC2=CC=C(C=C2)N3CCCCC3)C

InChI

InChI=1S/C21H28N4OS/c1-14-15(2)22-21(23-16(14)3)27-17(4)20(26)24-18-8-10-19(11-9-18)25-12-6-5-7-13-25/h8-11,17H,5-7,12-13H2,1-4H3,(H,24,26)/t17-/m1/s1