ethyl 3-[3-[1-[(diphenylmethyl)carbamothioyl]piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]propanoate

Systemtic Name: ethyl 3-[3-[1-[(diphenylmethyl)carbamothioyl]piperidin-4-yl]-2-oxidanylidene-benzimidazol-1-yl]propanoate Openeye Name: ethyl 3-[3-[1-(benzhydrylcarbamothioyl)-4-piperidyl]-2-oxo-benzimidazol-1-yl]propanoate CAS Name: 3-[3-[1-[[(diphenylmethyl)amino]-sulfanylidenemethyl]-4-piperidinyl]-2-oxo-1-benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[1-(benzhydrylcarbamothioyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanoate Traditional Name: 3-[3-[1-(benzhydrylthiocarbamoyl)-4-piperidyl]-2-keto-benzimidazol-1-yl]propionic acid ethyl ester Formula: C31H34N4O3S MolecularWeight: 542.69166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N4O3S/c1-2-38-28(36)19-22-34-26-15-9-10-16-27(26)35(31(34)37)25-17-20-33(21-18-25)30(39)32-29(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,25,29H,2,17-22H2,1H3,(H,32,39)