N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]pyridine-2-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]pyridine-2-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[3-[2-(3-thienyl)ethoxy]phenyl]methyl]pyridine-2-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[3-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-2-pyridinecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]pyridine-2-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-[2-(3-thienyl)ethoxy]benzyl]picolinamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC(=CC=C2)OCCC3=CSC=C3)C(=O)C4=CC=CC=N4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC(=CC=C2)OCCC3=CSC=C3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C25H27N3O3S/c29-24-23(9-2-4-13-27-24)28(25(30)22-8-1-3-12-26-22)17-20-6-5-7-21(16-20)31-14-10-19-11-15-32-18-19/h1,3,5-8,11-12,15-16,18,23H,2,4,9-10,13-14,17H2,(H,27,29)/t23-/m0/s1