N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H27ClN4O4S2 MolecularWeight: 499.04648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O4S2/c1-2-7-15-12-19(27)25-21(23-15)31-14-20(28)24-18-13-16(8-9-17(18)22)32(29,30)26-10-5-3-4-6-11-26/h8-9,12-13H,2-7,10-11,14H2,1H3,(H,24,28)(H,23,25,27)