2-[1-(azepan-1-yl)-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-1-(2-thienylmethyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(1-azepanyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(azepan-1-yl)-1-oxo-3-thiophen-2-ylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-(azepan-1-yl)-2-keto-1-(2-thenyl)ethyl]isoindoline-1,3-quinone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=CS2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC2=CC=CS2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N2O3S/c24-19-16-9-3-4-10-17(16)20(25)23(19)18(14-15-8-7-13-27-15)21(26)22-11-5-1-2-6-12-22/h3-4,7-10,13,18H,1-2,5-6,11-12,14H2