2-cycloheptyl-2-[4-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]phenyl]ethanoic acid

Systemtic Name: 2-cycloheptyl-2-[4-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-cycloheptyl-2-[4-[(2-thioxo-3H-benzimidazol-1-yl)methyl]phenyl]acetic acid CAS Name: 2-cycloheptyl-2-[4-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]phenyl]acetic acid IUPAC Name: 2-cycloheptyl-2-[4-[(2-sulfanylidene-3H-benzimidazol-1-yl)methyl]phenyl]acetic acid Traditional Name: 2-cycloheptyl-2-[4-[(2-thioxo-3H-benzimidazol-1-yl)methyl]phenyl]acetic acid Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(C2=CC=C(C=C2)CN3C4=CC=CC=C4NC3=S)C(=O)O

Isomeric SMILES

C1CCCC(CC1)C(C2=CC=C(C=C2)CN3C4=CC=CC=C4NC3=S)C(=O)O

InChI

InChI=1S/C23H26N2O2S/c26-22(27)21(17-7-3-1-2-4-8-17)18-13-11-16(12-14-18)15-25-20-10-6-5-9-19(20)24-23(25)28/h5-6,9-14,17,21H,1-4,7-8,15H2,(H,24,28)(H,26,27)