1-(4-chlorophenyl)-5-(diethylamino)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate

Systemtic Name: 1-(4-chlorophenyl)-5-(diethylamino)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate Openeye Name: 1-(4-chlorophenyl)-5-(diethylamino)-2-thioxo-hexahydropyrimidine-4,6-dione hydrate CAS Name: 1-(4-chlorophenyl)-5-(diethylamino)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate IUPAC Name: 1-(4-chlorophenyl)-5-(diethylamino)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate Traditional Name: 1-(4-chlorophenyl)-5-(diethylamino)-2-thioxo-hexahydropyrimidine-4,6-quinone hydrate Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)Cl.O

Isomeric SMILES

CCN(CC)C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)Cl.O

InChI

InChI=1S/C14H16ClN3O2S.H2O/c1-3-17(4-2)11-12(19)16-14(21)18(13(11)20)10-7-5-9(15)6-8-10;/h5-8,11H,3-4H2,1-2H3,(H,16,19,21);1H2