N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-thiazole-5-carboxamide

Systemtic Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-thiazole-5-carboxamide Openeye Name: N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]thiazole-5-carboxamide CAS Name: N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-5-thiazolecarboxamide IUPAC Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]thiazole-5-carboxamide Formula: C25H28N4O4S MolecularWeight: 480.57922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)C(=O)C3=CN=CS3)OCCC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CN=CS3)OCCC4=CC=CC=N4

InChI

InChI=1S/C25H28N4O4S/c1-32-22-14-18(8-9-21(22)33-13-10-19-6-2-4-11-27-19)16-29(25(31)23-15-26-17-34-23)20-7-3-5-12-28-24(20)30/h2,4,6,8-9,11,14-15,17,20H,3,5,7,10,12-13,16H2,1H3,(H,28,30)/t20-/m0/s1