2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(4-oxo-2-thioxo-thiazolidin-3-yl)ethyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[2-(4-oxo-2-sulfanylidene-3-thiazolidinyl)ethyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[2-(4-keto-2-thioxo-thiazolidin-3-yl)ethyl]acetamide Formula: C16H18N2O4S3 MolecularWeight: 398.52012

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NCCN3C(=O)CSC3=S)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NCCN3C(=O)CSC3=S)OC1

InChI

InChI=1S/C16H18N2O4S3/c19-14(17-4-5-18-15(20)10-25-16(18)23)9-24-11-2-3-12-13(8-11)22-7-1-6-21-12/h2-3,8H,1,4-7,9-10H2,(H,17,19)