1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3,5-dimethylphenyl)-5-[(phenethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CNCCC3=CC=CC=C3)C(=O)NC2=S)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C(=CNCCC3=CC=CC=C3)C(=O)NC2=S)C

InChI

InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)24-20(26)18(19(25)23-21(24)27)13-22-9-8-16-6-4-3-5-7-16/h3-7,10-13,22H,8-9H2,1-2H3,(H,23,25,27)