5-[[4-[2-[2-(1,2-dithiolan-3-yl)hexylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[[4-[2-[2-(1,2-dithiolan-3-yl)hexylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[[4-[2-[2-(dithiolan-3-yl)hexylamino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione CAS Name: 5-[[4-[2-[2-(3-dithiolanyl)hexylamino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione IUPAC Name: 5-[[4-[2-[2-(dithiolan-3-yl)hexylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-[4-[2-[2-(dithiolan-3-yl)hexylamino]ethoxy]benzyl]thiazolidine-2,4-quinone Formula: C21H30N2O3S3 MolecularWeight: 454.6695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNCCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3CCSS3

Isomeric SMILES

CCCCC(CNCCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3CCSS3

InChI

InChI=1S/C21H30N2O3S3/c1-2-3-4-16(18-9-12-27-29-18)14-22-10-11-26-17-7-5-15(6-8-17)13-19-20(24)23-21(25)28-19/h5-8,16,18-19,22H,2-4,9-14H2,1H3,(H,23,24,25)