4-methyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-3-ylamino)butan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-methyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-3-ylamino)butan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-methyl-N-[(1R)-3-methylsulfanyl-1-(3-pyridylcarbamoyl)propyl]cyclohexanecarboxamide CAS Name: 4-methyl-N-[(2R)-4-(methylthio)-1-oxo-1-(3-pyridinylamino)butan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-methyl-N-[(1R)-3-(methylthio)-1-(3-pyridylcarbamoyl)propyl]cyclohexanecarboxamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CN=CC=C2

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@H](CCSC)C(=O)NC2=CN=CC=C2

InChI

InChI=1S/C18H27N3O2S/c1-13-5-7-14(8-6-13)17(22)21-16(9-11-24-2)18(23)20-15-4-3-10-19-12-15/h3-4,10,12-14,16H,5-9,11H2,1-2H3,(H,20,23)(H,21,22)/t13?,14?,16-/m1/s1