5-[(3-chloranyl-4-propan-2-yloxy-phenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-chloranyl-4-propan-2-yloxy-phenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-chloro-4-isopropoxy-phenyl)methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-chloro-4-isopropoxy-benzylidene)-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-12(2)28-18-9-4-13(11-17(18)22)10-16-19(25)23-21(29)24(20(16)26)14-5-7-15(27-3)8-6-14/h4-12H,1-3H3,(H,23,25,29)