5,5-bis[(3-chlorophenyl)methyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5,5-bis[(3-chlorophenyl)methyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5,5-bis[(3-chlorophenyl)methyl]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5,5-bis[(3-chlorophenyl)methyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5,5-bis[(3-chlorophenyl)methyl]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5,5-bis(3-chlorobenzyl)-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H22Cl2N2O2S MolecularWeight: 449.39328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=O)N(C1=S)CC)(CC2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCN1C(=O)C(C(=O)N(C1=S)CC)(CC2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H22Cl2N2O2S/c1-3-25-19(27)22(20(28)26(4-2)21(25)29,13-15-7-5-9-17(23)11-15)14-16-8-6-10-18(24)12-16/h5-12H,3-4,13-14H2,1-2H3