2-[2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H27N3O3S/c30-24(27-13-7-1-2-8-14-27)18-28-17-23(21-11-5-6-12-22(21)28)33-16-15-29-25(31)19-9-3-4-10-20(19)26(29)32/h3-6,9-12,17H,1-2,7-8,13-16,18H2