4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(4-isopropylphenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(methylthio)-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-methylsulfanyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-(p-cumenylcarbamoyl)propyl]-3-nitro-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-13(2)14-4-7-16(8-5-14)23-21(27)18(10-11-30-3)24-20(26)15-6-9-17(22)19(12-15)25(28)29/h4-9,12-13,18H,10-11H2,1-3H3,(H,23,27)(H,24,26)