N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-(3-thienyl)acetamide CAS Name: N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylacetamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]-2-(3-thienyl)acetamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)C(=O)CC3=CSC=C3)OCCC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)CN([C@H]2CCCCNC2=O)C(=O)CC3=CSC=C3)OCCC4=CC=CC=N4

InChI

InChI=1S/C27H31N3O4S/c1-33-25-16-20(8-9-24(25)34-14-10-22-6-2-4-12-28-22)18-30(23-7-3-5-13-29-27(23)32)26(31)17-21-11-15-35-19-21/h2,4,6,8-9,11-12,15-16,19,23H,3,5,7,10,13-14,17-18H2,1H3,(H,29,32)/t23-/m0/s1