N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-4-ethylsulfanyl-benzamide

Systemtic Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-4-ethylsulfanyl-benzamide Openeye Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-4-ethylsulfanyl-benzamide CAS Name: N-[4-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]phenyl]-4-(ethylthio)benzamide IUPAC Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]phenyl]-4-ethylsulfanylbenzamide Traditional Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)methylthio]phenyl]-4-(ethylthio)benzamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C22H23N3O3S2/c1-4-29-17-9-5-15(6-10-17)22(26)23-16-7-11-18(12-8-16)30-14-19-24-20(27-2)13-21(25-19)28-3/h5-13H,4,14H2,1-3H3,(H,23,26)