2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: 2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetamide Formula: C26H30N2O3S3 MolecularWeight: 514.723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C26H30N2O3S3/c1-21-9-11-23(12-10-21)28(34(30,31)25-15-13-24(32-2)14-16-25)19-26(29)27-17-6-18-33-20-22-7-4-3-5-8-22/h3-5,7-16H,6,17-20H2,1-2H3,(H,27,29)