5,5-bis[2-(phenylsulfonyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5,5-bis[2-(phenylsulfonyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5,5-bis[2-(benzenesulfonyl)ethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5,5-bis[2-(benzenesulfonyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5,5-bis[2-(benzenesulfonyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5,5-bis(2-besylethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H20N2O6S3 MolecularWeight: 480.5776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=O)NC(=S)NC2=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=O)NC(=S)NC2=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6S3/c23-17-20(18(24)22-19(29)21-17,11-13-30(25,26)15-7-3-1-4-8-15)12-14-31(27,28)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,21,22,23,24,29)