4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)amino]butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)amino]butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-[(3,4,5-trimethoxyphenyl)carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(methylthio)-1-oxo-1-(3,4,5-trimethoxyanilino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-methylsulfanyl-1-oxo-1-(3,4,5-trimethoxyanilino)butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-[(3,4,5-trimethoxyphenyl)carbamoyl]propyl]-3-nitro-benzamide Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O7S/c1-30-17-10-13(11-18(31-2)19(17)32-3)23-21(27)15(7-8-33-4)24-20(26)12-5-6-14(22)16(9-12)25(28)29/h5-6,9-11,15H,7-8H2,1-4H3,(H,23,27)(H,24,26)