1-(4-bromophenyl)-5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-bromophenyl)-5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[(1-cyclopentyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O2S/c1-13-11-15(14(2)25(13)17-5-3-4-6-17)12-19-20(27)24-22(29)26(21(19)28)18-9-7-16(23)8-10-18/h7-12,17H,3-6H2,1-2H3,(H,24,27,29)