3-[3-[1-[(diphenylmethyl)carbamothioyl]piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[1-[(diphenylmethyl)carbamothioyl]piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]propanoic acid Openeye Name: 3-[3-[1-(benzhydrylcarbamothioyl)-4-piperidyl]-2-oxo-benzimidazol-1-yl]propanoic acid CAS Name: 3-[3-[1-[[(diphenylmethyl)amino]-sulfanylidenemethyl]-4-piperidinyl]-2-oxo-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[3-[1-(benzhydrylcarbamothioyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanoic acid Traditional Name: 3-[3-[1-(benzhydrylthiocarbamoyl)-4-piperidyl]-2-keto-benzimidazol-1-yl]propionic acid Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCC(=O)O)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCC(=O)O)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3S/c34-26(35)17-20-32-24-13-7-8-14-25(24)33(29(32)36)23-15-18-31(19-16-23)28(37)30-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,27H,15-20H2,(H,30,37)(H,34,35)