4-chloranyl-N-[1-[2-(4-methylphenyl)sulfanylethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-[2-(4-methylphenyl)sulfanylethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-[2-(p-tolylsulfanyl)ethylcarbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[2-[(4-methylphenyl)thio]ethylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[2-(4-methylphenyl)sulfanylethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-[2-(p-tolylthio)ethylcarbamoyl]propyl]-3-nitro-benzamide Formula: C21H24ClN3O4S2 MolecularWeight: 482.01596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4S2/c1-14-3-6-16(7-4-14)31-12-10-23-21(27)18(9-11-30-2)24-20(26)15-5-8-17(22)19(13-15)25(28)29/h3-8,13,18H,9-12H2,1-2H3,(H,23,27)(H,24,26)