4-ethoxy-N-[(2S)-1-oxidanylidene-1-phenylazanyl-3-pyridin-3-yl-propan-2-yl]-1-(sulfanylmethyl)cyclohexane-1-carboxamide

Systemtic Name: 4-ethoxy-N-[(2S)-1-oxidanylidene-1-phenylazanyl-3-pyridin-3-yl-propan-2-yl]-1-(sulfanylmethyl)cyclohexane-1-carboxamide Openeye Name: N-[(1S)-2-anilino-2-oxo-1-(3-pyridylmethyl)ethyl]-4-ethoxy-1-(sulfanylmethyl)cyclohexanecarboxamide CAS Name: N-[(2S)-1-anilino-1-oxo-3-(3-pyridinyl)propan-2-yl]-4-ethoxy-1-(mercaptomethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-anilino-1-oxo-3-pyridin-3-ylpropan-2-yl]-4-ethoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide Traditional Name: N-[(1S)-2-anilino-2-keto-1-(3-pyridylmethyl)ethyl]-4-ethoxy-1-(mercaptomethyl)cyclohexanecarboxamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CC1)(CS)C(=O)NC(CC2=CN=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC1CCC(CC1)(CS)C(=O)N[C@@H](CC2=CN=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3S/c1-2-30-20-10-12-24(17-31,13-11-20)23(29)27-21(15-18-7-6-14-25-16-18)22(28)26-19-8-4-3-5-9-19/h3-9,14,16,20-21,31H,2,10-13,15,17H2,1H3,(H,26,28)(H,27,29)/t20?,21-,24?/m0/s1