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

Systemtic Name: 4-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-methyl-N-[(1S)-3-methylsulfanyl-1-(4-pyridylcarbamoyl)propyl]cyclohexanecarboxamide CAS Name: 4-methyl-N-[(2S)-4-(methylthio)-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-methyl-N-[(1S)-3-(methylthio)-1-(4-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=CC=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-13-3-5-14(6-4-13)17(22)21-16(9-12-24-2)18(23)20-15-7-10-19-11-8-15/h7-8,10-11,13-14,16H,3-6,9,12H2,1-2H3,(H,21,22)(H,19,20,23)/t13?,14?,16-/m0/s1