2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-phenoxyphenyl)ethanamide

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-phenoxyphenyl)ethanamide Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-phenoxyphenyl)acetamide CAS Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-N-(3-phenoxyphenyl)acetamide IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-phenoxyphenyl)acetamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-(3-phenoxyphenyl)acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-2-7-15-13-19(25)24-21(23-15)28-14-20(26)22-16-8-6-11-18(12-16)27-17-9-4-3-5-10-17/h3-6,8-13H,2,7,14H2,1H3,(H,22,26)(H,23,24,25)