N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[1-[(4-nitrophenyl)carbamoyl]propylsulfanyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[[1-(4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[1-(4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[1-[(4-nitrophenyl)carbamoyl]propylthio]phenyl]cyclohexanecarboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C23H27N3O4S/c1-2-21(23(28)24-17-11-13-19(14-12-17)26(29)30)31-20-10-6-9-18(15-20)25-22(27)16-7-4-3-5-8-16/h6,9-16,21H,2-5,7-8H2,1H3,(H,24,28)(H,25,27)