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

Systemtic Name: N-[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylthio]phenyl]cyclohexanecarboxamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-3-22(24(29)26-21-13-12-19(27(30)31)14-16(21)2)32-20-11-7-10-18(15-20)25-23(28)17-8-5-4-6-9-17/h7,10-15,17,22H,3-6,8-9H2,1-2H3,(H,25,28)(H,26,29)