N-[4-[(2S)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]phenyl]butanamide

Systemtic Name: N-[4-[(2S)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]phenyl]butanamide Openeye Name: N-[4-[(2S)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]phenyl]butanamide CAS Name: N-[4-[(2S)-1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propyl]phenyl]butanamide IUPAC Name: N-[4-[(2S)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]phenyl]butanamide Traditional Name: N-[4-[(2S)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propanoyl]phenyl]butyramide Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=C(C(=N2)C)C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC(=C(C(=N2)C)C)C

InChI

InChI=1S/C20H25N3O2S/c1-6-7-18(24)23-17-10-8-16(9-11-17)19(25)15(5)26-20-21-13(3)12(2)14(4)22-20/h8-11,15H,6-7H2,1-5H3,(H,23,24)/t15-/m0/s1