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

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]quinoline-2-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[3-[2-(3-thienyl)ethoxy]phenyl]methyl]quinoline-2-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[3-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-2-quinolinecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]quinoline-2-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-[2-(3-thienyl)ethoxy]benzyl]quinaldamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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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=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC(=CC=C2)OCCC3=CSC=C3)C(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H29N3O3S/c33-28-27(10-3-4-15-30-28)32(29(34)26-12-11-23-7-1-2-9-25(23)31-26)19-22-6-5-8-24(18-22)35-16-13-21-14-17-36-20-21/h1-2,5-9,11-12,14,17-18,20,27H,3-4,10,13,15-16,19H2,(H,30,33)/t27-/m0/s1