N-[3-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[1-[(2-ethoxyphenyl)carbamoyl]propylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(2-ethoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[3-[1-(o-phenetylcarbamoyl)propylthio]phenyl]benzamide Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O5S/c1-3-23(25(30)27-21-13-5-6-14-22(21)33-4-2)34-20-12-8-10-18(16-20)26-24(29)17-9-7-11-19(15-17)28(31)32/h5-16,23H,3-4H2,1-2H3,(H,26,29)(H,27,30)