butyl 4-[3-[(1,3-dimethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: butyl 4-[3-[(1,3-dimethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-[(1,3-dimethyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(1,3-dimethyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(5-keto-1,3-dimethyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid butyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N3C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N3C)C)C

InChI

InChI=1S/C23H27N3O3S/c1-6-7-12-29-22(28)17-8-10-19(11-9-17)26-15(2)13-18(16(26)3)14-20-21(27)25(5)23(30)24(20)4/h8-11,13-14H,6-7,12H2,1-5H3