2-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(3,4-dichlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide IUPAC Name: 2-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide Traditional Name: 2-[2-[(3,4-dichlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-phenethyl-acetamide Formula: C21H19Cl2N3O2S MolecularWeight: 448.36546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O2S/c22-17-7-6-15(10-18(17)23)13-29-21-25-16(12-20(28)26-21)11-19(27)24-9-8-14-4-2-1-3-5-14/h1-7,10,12H,8-9,11,13H2,(H,24,27)(H,25,26,28)