4-[4,4-dimethyl-5-oxidanylidene-3-[4-(phenylmethyl)phenyl]-2-sulfanylidene-imidazolidin-1-yl]benzoic acid

Systemtic Name: 4-[4,4-dimethyl-5-oxidanylidene-3-[4-(phenylmethyl)phenyl]-2-sulfanylidene-imidazolidin-1-yl]benzoic acid Openeye Name: 4-[3-(4-benzylphenyl)-4,4-dimethyl-5-oxo-2-thioxo-imidazolidin-1-yl]benzoic acid CAS Name: 4-[4,4-dimethyl-5-oxo-3-[4-(phenylmethyl)phenyl]-2-sulfanylidene-1-imidazolidinyl]benzoic acid IUPAC Name: 4-[3-(4-benzylphenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoic acid Traditional Name: 4-[3-(4-benzylphenyl)-5-keto-4,4-dimethyl-2-thioxo-imidazolidin-1-yl]benzoic acid Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C25H22N2O3S/c1-25(2)23(30)26(20-14-10-19(11-15-20)22(28)29)24(31)27(25)21-12-8-18(9-13-21)16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,28,29)