1-(2,4-dichlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(2,4-dichlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2,4-dichlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2,4-dichlorophenyl)-5-[[2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2,4-dichlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2,4-dichlorophenyl)-5-(2-methyl-4-pyrrolidino-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H19Cl2N3O2S MolecularWeight: 460.37616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H19Cl2N3O2S/c1-13-10-16(26-8-2-3-9-26)6-4-14(13)11-17-20(28)25-22(30)27(21(17)29)19-7-5-15(23)12-18(19)24/h4-7,10-12H,2-3,8-9H2,1H3,(H,25,28,30)