N-[4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C17H21N3O4S2/c1-4-5-14-10-15(21)19-17(18-14)25-11(2)16(22)12-6-8-13(9-7-12)20-26(3,23)24/h6-11,20H,4-5H2,1-3H3,(H,18,19,21)