N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C21H28N4O3S3 MolecularWeight: 480.66702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H28N4O3S3/c1-17-3-5-18(6-4-17)29-14-9-22-20(26)16-30-21-8-7-19(15-23-21)31(27,28)25-12-10-24(2)11-13-25/h3-8,15H,9-14,16H2,1-2H3,(H,22,26)