N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[2-(4-nitroanilino)-2-oxoethyl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c25-20(22-16-9-11-18(12-10-16)24(27)28)14-29-19-8-4-7-17(13-19)23-21(26)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14H2,(H,22,25)(H,23,26)