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

Systemtic Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]thiophene-2-carboxamide Openeye Name: N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-carboxamide CAS Name: N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]thiophene-2-carboxamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4S/c1-32-23-17-19(10-11-22(23)33-15-12-20-7-2-4-13-27-20)18-29(26(31)24-9-6-16-34-24)21-8-3-5-14-28-25(21)30/h2,4,6-7,9-11,13,16-17,21H,3,5,8,12,14-15,18H2,1H3,(H,28,30)/t21-/m0/s1