(5Z)-5-[(2-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-1-phenethyl-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-5-[(2-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-1-phenethyl-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-5-[(2-chloro-5-ethoxy-4-hydroxy-phenyl)methylene]-1-phenethyl-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-5-[(2-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-1-phenethyl-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-5-[(2-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-1-phenethyl-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-5-(2-chloro-5-ethoxy-4-hydroxy-benzylidene)-1-phenethyl-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H23ClN2O4S MolecularWeight: 507.00052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)CCC4=CC=CC=C4)Cl)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)CCC4=CC=CC=C4)Cl)O

InChI

InChI=1S/C27H23ClN2O4S/c1-2-34-24-16-19(22(28)17-23(24)31)15-21-25(32)29(14-13-18-9-5-3-6-10-18)27(35)30(26(21)33)20-11-7-4-8-12-20/h3-12,15-17,31H,2,13-14H2,1H3/b21-15-