3-[5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H25N3O4S/c1-14-11-17(15(2)26(14)18-8-4-3-5-9-18)13-20-21(28)25-24(32)27(22(20)29)19-10-6-7-16(12-19)23(30)31/h6-7,10-13,18H,3-5,8-9H2,1-2H3,(H,30,31)(H,25,28,32)