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

Systemtic Name: 1-(4-chlorophenyl)-5-[(3,3-diphenylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-chlorophenyl)-5-[(3,3-diphenylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-chlorophenyl)-5-[(3,3-diphenylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-chlorophenyl)-5-[(3,3-diphenylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-chlorophenyl)-5-[(3,3-diphenylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H22ClN3O2S/c27-20-11-13-21(14-12-20)30-25(32)23(24(31)29-26(30)33)17-28-16-15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,17,22,28H,15-16H2,(H,29,31,33)