2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)-N-phenethyl-ethanamide

Systemtic Name: 2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)-N-phenethyl-ethanamide Openeye Name: 2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)-N-phenethyl-acetamide CAS Name: 2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]-N-phenethylacetamide IUPAC Name: 2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)-N-phenethylacetamide Traditional Name: 2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]-N-phenethyl-acetamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O2S/c32-26(29-18-16-22-10-4-1-5-11-22)21-31-27(33)20-25(24-14-8-3-9-15-24)30-28(31)34-19-17-23-12-6-2-7-13-23/h1-15,20H,16-19,21H2,(H,29,32)