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

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(4-phenoxyphenyl)acetamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S/c29-23(26-19-11-13-22(14-12-19)31-21-9-5-2-6-10-21)15-20-16-24(30)28-25(27-20)32-17-18-7-3-1-4-8-18/h1-14,16H,15,17H2,(H,26,29)(H,27,28,30)