2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2S/c23-18-10-4-8-17(12-18)15-29-22-25-19(14-21(28)26-22)13-20(27)24-11-5-9-16-6-2-1-3-7-16/h1-4,6-8,10,12,14H,5,9,11,13,15H2,(H,24,27)(H,25,26,28)