N-[4-(azepan-1-ylcarbonyl)phenyl]-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N4O3S/c1-14-12-17(25)23-20(21-14)28-13-18(26)22-16-8-6-15(7-9-16)19(27)24-10-4-2-3-5-11-24/h6-9,12H,2-5,10-11,13H2,1H3,(H,22,26)(H,21,23,25)