1,3-bis(4-methylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-bis(4-methylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-phenylethylamino)methylene]-1,3-bis(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-bis(4-methylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-bis(4-methylphenyl)-5-[(1-phenylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-phenylethylamino)methylene]-1,3-bis(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC(C)C3=CC=CC=C3)C(=O)N(C2=S)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNC(C)C3=CC=CC=C3)C(=O)N(C2=S)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25N3O2S/c1-18-9-13-22(14-10-18)29-25(31)24(17-28-20(3)21-7-5-4-6-8-21)26(32)30(27(29)33)23-15-11-19(2)12-16-23/h4-17,20,28H,1-3H3