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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C18H22N4O4S2/c23-16-9-10-19-18(21-16)27-13-17(24)20-14-5-7-15(8-6-14)28(25,26)22-11-3-1-2-4-12-22/h5-10H,1-4,11-13H2,(H,20,24)(H,19,21,23)