1,3-diethyl-5-[(2Z)-2-(1-heptyl-3,3-dimethyl-5-methylperoxysulfanyl-indol-2-ylidene)ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-diethyl-5-[(2Z)-2-(1-heptyl-3,3-dimethyl-5-methylperoxysulfanyl-indol-2-ylidene)ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diethyl-5-[(2Z)-2-(1-heptyl-3,3-dimethyl-5-methylperoxysulfanyl-indolin-2-ylidene)ethylidene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (2Z)-2-[2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)ethylidene]-1-heptyl-3,3-dimethyl-5-indolesulfenic acid methoxy ester IUPAC Name: 1,3-diethyl-5-[(2Z)-2-(1-heptyl-3,3-dimethyl-5-methylperoxysulfanylindol-2-ylidene)ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-[(2Z)-2-[1-heptyl-3,3-dimethyl-5-(methylperoxythio)indolin-2-ylidene]ethylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C28H39N3O4S2 MolecularWeight: 545.75696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)SOOC)C(C1=CC=C3C(=O)N(C(=S)N(C3=O)CC)CC)(C)C

Isomeric SMILES

CCCCCCCN\1C2=C(C=C(C=C2)SOOC)C(/C1=C/C=C3C(=O)N(C(=S)N(C3=O)CC)CC)(C)C

InChI

InChI=1S/C28H39N3O4S2/c1-7-10-11-12-13-18-31-23-16-14-20(37-35-34-6)19-22(23)28(4,5)24(31)17-15-21-25(32)29(8-2)27(36)30(9-3)26(21)33/h14-17,19H,7-13,18H2,1-6H3/b24-17-