[4-[[5-methyl-2-(3-methylsulfanylphenoxy)pyridin-3-yl]carbonylamino]cyclohexyl]carbamic acid

Systemtic Name: [4-[[5-methyl-2-(3-methylsulfanylphenoxy)pyridin-3-yl]carbonylamino]cyclohexyl]carbamic acid Openeye Name: [4-[[5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid CAS Name: [4-[[[5-methyl-2-[3-(methylthio)phenoxy]-3-pyridinyl]-oxomethyl]amino]cyclohexyl]carbamic acid IUPAC Name: [4-[[5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid Traditional Name: [4-[[5-methyl-2-[3-(methylthio)phenoxy]nicotinoyl]amino]cyclohexyl]carbamic acid Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1)C(=O)NC2CCC(CC2)NC(=O)O)OC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CN=C(C(=C1)C(=O)NC2CCC(CC2)NC(=O)O)OC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H25N3O4S/c1-13-10-18(19(25)23-14-6-8-15(9-7-14)24-21(26)27)20(22-12-13)28-16-4-3-5-17(11-16)29-2/h3-5,10-12,14-15,24H,6-9H2,1-2H3,(H,23,25)(H,26,27)