N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethyl]-4-phenyl-benzamide

Systemtic Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethyl]-4-phenyl-benzamide Openeye Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethyl]-4-phenyl-benzamide CAS Name: N-[2-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]ethyl]-4-phenylbenzamide IUPAC Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylethyl]-4-phenylbenzamide Traditional Name: N-[2-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]ethyl]-4-phenyl-benzamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H27N3O3S/c1-33-24-19-25(34-2)31-27(30-24)26(22-11-7-4-8-12-22)35-18-17-29-28(32)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,26H,17-18H2,1-2H3,(H,29,32)