N-[3-(4-methylphenyl)sulfanylpropyl]-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-[3-(p-tolylsulfanyl)propyl]-2-[N-(p-tolylsulfonyl)anilino]acetamide CAS Name: 2-(N-(4-methylphenyl)sulfonylanilino)-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(p-tolylthio)propyl]-2-(N-tosylanilino)acetamide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28N2O3S2/c1-20-9-13-23(14-10-20)31-18-6-17-26-25(28)19-27(22-7-4-3-5-8-22)32(29,30)24-15-11-21(2)12-16-24/h3-5,7-16H,6,17-19H2,1-2H3,(H,26,28)