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

Systemtic Name: (5Z)-1-(4-bromanyl-2-methyl-phenyl)-5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(4-bromo-2-methyl-phenyl)-5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[(1-cyclopentyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(4-bromo-2-methyl-phenyl)-5-[(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H24BrN3O2S MolecularWeight: 486.42456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(N1C2CCCC2)C)/C=C\3/C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Br)C

InChI

InChI=1S/C23H24BrN3O2S/c1-13-10-17(24)8-9-20(13)27-22(29)19(21(28)25-23(27)30)12-16-11-14(2)26(15(16)3)18-6-4-5-7-18/h8-12,18H,4-7H2,1-3H3,(H,25,28,30)/b19-12-