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

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O3S/c1-2-6-15-12-19(26)25-21(23-15)29-13-20(27)24-17-11-14(22)9-10-18(17)28-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13H2,1H3,(H,24,27)(H,23,25,26)