(3S)-N-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N-(2-methoxyphenyl)-5-oxidanylidene-thiolane-3-carboxamide

Systemtic Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N-(2-methoxyphenyl)-5-oxidanylidene-thiolane-3-carboxamide Openeye Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(4-pyridyl)ethyl]-N-(2-methoxyphenyl)-5-oxo-tetrahydrothiophene-3-carboxamide CAS Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methoxyphenyl)-5-oxo-3-thiolanecarboxamide IUPAC Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methoxyphenyl)-5-oxothiolane-3-carboxamide Traditional Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl]-5-keto-N-(2-methoxyphenyl)tetrahydrothiophene-3-carboxamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(C(C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)C4CC(=O)SC4

Isomeric SMILES

COC1=CC=CC=C1N([C@@H](C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)[C@@H]4CC(=O)SC4

InChI

InChI=1S/C25H29N3O4S/c1-32-21-10-6-5-9-20(21)28(25(31)18-15-22(29)33-16-18)23(17-11-13-26-14-12-17)24(30)27-19-7-3-2-4-8-19/h5-6,9-14,18-19,23H,2-4,7-8,15-16H2,1H3,(H,27,30)/t18-,23+/m1/s1