2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22N4O4S2/c1-13-11-16(23)21-18(19-13)27-12-17(24)20-14-5-7-15(8-6-14)28(25,26)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,24)(H,19,21,23)