N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-phthalimido-acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C4=CSC=C4

InChI

InChI=1S/C22H25N3O3S/c26-20(14-25-21(27)17-7-3-4-8-18(17)22(25)28)23-13-19(16-9-12-29-15-16)24-10-5-1-2-6-11-24/h3-4,7-9,12,15,19H,1-2,5-6,10-11,13-14H2,(H,23,26)