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

Systemtic Name: 4-chloranyl-N-[1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[2-(4-chlorophenyl)ethylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[2-(4-chlorophenyl)ethylcarbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H21Cl2N3O4S MolecularWeight: 470.36944

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NCCC1=CC=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21Cl2N3O4S/c1-30-11-9-17(20(27)23-10-8-13-2-5-15(21)6-3-13)24-19(26)14-4-7-16(22)18(12-14)25(28)29/h2-7,12,17H,8-11H2,1H3,(H,23,27)(H,24,26)