N-[3-[1-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[1-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[1-[(5-chloro-2,4-dimethoxy-phenyl)carbamoyl]propylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(5-chloro-2,4-dimethoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(5-chloro-2,4-dimethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[1-[(5-chloro-2,4-dimethoxy-phenyl)carbamoyl]propylthio]phenyl]-3-nitro-benzamide Formula: C25H24ClN3O6S MolecularWeight: 529.99256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H24ClN3O6S/c1-4-23(25(31)28-20-13-19(26)21(34-2)14-22(20)35-3)36-18-10-6-8-16(12-18)27-24(30)15-7-5-9-17(11-15)29(32)33/h5-14,23H,4H2,1-3H3,(H,27,30)(H,28,31)