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

Systemtic Name: 4-chloranyl-N-[1-[(3-chloranyl-4-methoxy-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(3-chloro-4-methoxy-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(3-chloro-4-methoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(3-chloro-4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(3-chloro-4-methoxy-phenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H19Cl2N3O5S MolecularWeight: 472.34226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19Cl2N3O5S/c1-29-17-6-4-12(10-14(17)21)22-19(26)15(7-8-30-2)23-18(25)11-3-5-13(20)16(9-11)24(27)28/h3-6,9-10,15H,7-8H2,1-2H3,(H,22,26)(H,23,25)