N-(4-butylphenyl)-2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-pyrimidin-1-yl]acetamide CAS Name: N-(4-butylphenyl)-2-[2-[(2-chlorophenyl)methylthio]-6-oxo-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-(4-butylphenyl)-2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenylpyrimidin-1-yl]acetamide Traditional Name: N-(4-butylphenyl)-2-[2-[(2-chlorobenzyl)thio]-6-keto-4-phenyl-pyrimidin-1-yl]acetamide Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C29H28ClN3O2S/c1-2-3-9-21-14-16-24(17-15-21)31-27(34)19-33-28(35)18-26(22-10-5-4-6-11-22)32-29(33)36-20-23-12-7-8-13-25(23)30/h4-8,10-18H,2-3,9,19-20H2,1H3,(H,31,34)