(5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(1-tert-butyl-2-pyrrolyl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)N1C=CC=C1/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O3S/c1-20(2,3)22-11-5-6-14(22)12-16-17(24)21-19(27)23(18(16)25)13-7-9-15(26-4)10-8-13/h5-12H,1-4H3,(H,21,24,27)/b16-12+