(5Z)-1-(4-butylphenyl)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-(4-butylphenyl)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(4-butylphenyl)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(4-butylphenyl)-5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(4-butylphenyl)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(4-butylphenyl)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4CCCCC4)C)C(=O)NC2=S

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=C(N(C(=C3)C)C4CCCCC4)C)/C(=O)NC2=S

InChI

InChI=1S/C27H33N3O2S/c1-4-5-9-20-12-14-23(15-13-20)30-26(32)24(25(31)28-27(30)33)17-21-16-18(2)29(19(21)3)22-10-7-6-8-11-22/h12-17,22H,4-11H2,1-3H3,(H,28,31,33)/b24-17-