(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl) N,N'-bis[(4-methoxyphenyl)carbonyl]carbamimidothioate

Systemtic Name: (4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl) N,N'-bis[(4-methoxyphenyl)carbonyl]carbamimidothioate Openeye Name: N-[C-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)sulfanyl-N-(4-methoxybenzoyl)carbonimidoyl]-4-methoxy-benzamide CAS Name: N,N'-bis[(4-methoxyphenyl)-oxomethyl]carbamimidothioic acid (2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl) ester IUPAC Name: (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate Traditional Name: N-[C-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)thio]-N-p-anisoyl-carbonimidoyl]-4-methoxy-benzamide Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC(=NC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)OC)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC(=NC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)OC)O)C

InChI

InChI=1S/C25H26N2O6S/c1-25(2)13-19(28)21(20(29)14-25)34-24(26-22(30)15-5-9-17(32-3)10-6-15)27-23(31)16-7-11-18(33-4)12-8-16/h5-12,28H,13-14H2,1-4H3,(H,26,27,30,31)