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

Systemtic Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-2-yl-ethyl]-N-(2-methylphenyl)-5-oxidanylidene-thiolane-3-carboxamide Openeye Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(2-pyridyl)ethyl]-N-(o-tolyl)-5-oxo-tetrahydrothiophene-3-carboxamide CAS Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(2-pyridinyl)ethyl]-N-(2-methylphenyl)-5-oxo-3-thiolanecarboxamide IUPAC Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-methylphenyl)-5-oxothiolane-3-carboxamide Traditional Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-keto-1-(2-pyridyl)ethyl]-5-keto-N-(o-tolyl)tetrahydrothiophene-3-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(C2=CC=CC=N2)C(=O)NC3CCCCC3)C(=O)C4CC(=O)SC4

Isomeric SMILES

CC1=CC=CC=C1N([C@@H](C2=CC=CC=N2)C(=O)NC3CCCCC3)C(=O)[C@@H]4CC(=O)SC4

InChI

InChI=1S/C25H29N3O3S/c1-17-9-5-6-13-21(17)28(25(31)18-15-22(29)32-16-18)23(20-12-7-8-14-26-20)24(30)27-19-10-3-2-4-11-19/h5-9,12-14,18-19,23H,2-4,10-11,15-16H2,1H3,(H,27,30)/t18-,23+/m1/s1