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

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C22H28N4O3S MolecularWeight: 428.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N4O3S/c1-2-7-18-14-19(27)25-22(24-18)30-15-20(28)23-17-10-8-16(9-11-17)21(29)26-12-5-3-4-6-13-26/h8-11,14H,2-7,12-13,15H2,1H3,(H,23,28)(H,24,25,27)