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

Systemtic Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N-(4-methylphenyl)-5-oxidanylidene-thiolane-3-carboxamide Openeye Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(4-pyridyl)ethyl]-5-oxo-N-(p-tolyl)tetrahydrothiophene-3-carboxamide CAS Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-5-oxo-3-thiolanecarboxamide IUPAC Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-5-oxothiolane-3-carboxamide Traditional Name: (3S)-N-[(1S)-2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl]-5-keto-N-(p-tolyl)tetrahydrothiophene-3-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)C4CC(=O)SC4

Isomeric SMILES

CC1=CC=C(C=C1)N([C@@H](C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)[C@@H]4CC(=O)SC4

InChI

InChI=1S/C25H29N3O3S/c1-17-7-9-21(10-8-17)28(25(31)19-15-22(29)32-16-19)23(18-11-13-26-14-12-18)24(30)27-20-5-3-2-4-6-20/h7-14,19-20,23H,2-6,15-16H2,1H3,(H,27,30)/t19-,23+/m1/s1