N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-2-yl]ethanamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-2-yl]ethanamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[4-(2-phenylpyrimidin-4-yl)piperidine-1-carbonyl]propyl]acetamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-[4-(2-phenyl-4-pyrimidinyl)-1-piperidinyl]butan-2-yl]acetamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-2-yl]acetamide Traditional Name: N-[(1S)-3-(methylthio)-1-[4-(2-phenylpyrimidin-4-yl)piperidine-1-carbonyl]propyl]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)N1CCC(CC1)C2=NC(=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)N1CCC(CC1)C2=NC(=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-16(27)24-20(11-15-29-2)22(28)26-13-9-17(10-14-26)19-8-12-23-21(25-19)18-6-4-3-5-7-18/h3-8,12,17,20H,9-11,13-15H2,1-2H3,(H,24,27)/t20-/m0/s1