N-[3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propylthio]phenyl]-3-nitro-benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C26H27N3O4S/c1-4-18-10-6-9-17(3)24(18)28-26(31)23(5-2)34-22-14-8-12-20(16-22)27-25(30)19-11-7-13-21(15-19)29(32)33/h6-16,23H,4-5H2,1-3H3,(H,27,30)(H,28,31)