N-[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[4-[1-methyl-2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[4-[[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(4-pyridylamino)ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=NC=C1)SC2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H25N3O2S/c1-15(20(25)23-18-11-13-22-14-12-18)27-19-9-7-17(8-10-19)24-21(26)16-5-3-2-4-6-16/h7-16H,2-6H2,1H3,(H,24,26)(H,22,23,25)