4-(4-methylsulfanylphenyl)-4-oxidanylidene-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]butanamide

Systemtic Name: 4-(4-methylsulfanylphenyl)-4-oxidanylidene-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]butanamide Openeye Name: 4-(4-methylsulfanylphenyl)-4-oxo-N-[(1-pyrimidin-2-yl-3-piperidyl)methyl]butanamide CAS Name: 4-[4-(methylthio)phenyl]-4-oxo-N-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]butanamide IUPAC Name: 4-(4-methylsulfanylphenyl)-4-oxo-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]butanamide Traditional Name: 4-keto-4-[4-(methylthio)phenyl]-N-[[1-(2-pyrimidyl)-3-piperidyl]methyl]butyramide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)NCC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)NCC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C21H26N4O2S/c1-28-18-7-5-17(6-8-18)19(26)9-10-20(27)24-14-16-4-2-13-25(15-16)21-22-11-3-12-23-21/h3,5-8,11-12,16H,2,4,9-10,13-15H2,1H3,(H,24,27)