(2R)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2R)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-(3-piperidinosulfonylphenyl)propionamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28N4O4S2/c1-3-8-16-14-19(26)24-21(23-16)30-15(2)20(27)22-17-9-7-10-18(13-17)31(28,29)25-11-5-4-6-12-25/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3,(H,22,27)(H,23,24,26)/t15-/m1/s1