N-[4-[2-[(4-cyanophenyl)methylsulfanyl]ethanoylamino]-2,5-dimethoxy-phenyl]benzamide

Systemtic Name: N-[4-[2-[(4-cyanophenyl)methylsulfanyl]ethanoylamino]-2,5-dimethoxy-phenyl]benzamide Openeye Name: N-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]-2,5-dimethoxy-phenyl]benzamide CAS Name: N-[4-[[2-[(4-cyanophenyl)methylthio]-1-oxoethyl]amino]-2,5-dimethoxyphenyl]benzamide IUPAC Name: N-[4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide Traditional Name: N-[4-[[2-[(4-cyanobenzyl)thio]acetyl]amino]-2,5-dimethoxy-phenyl]benzamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H23N3O4S/c1-31-22-13-21(28-25(30)19-6-4-3-5-7-19)23(32-2)12-20(22)27-24(29)16-33-15-18-10-8-17(14-26)9-11-18/h3-13H,15-16H2,1-2H3,(H,27,29)(H,28,30)