1-[4-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]pyrrolidine-2-carboxylate

Systemtic Name: 1-[4-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]pyrrolidine-2-carboxylate Openeye Name: 1-[4-[[(2-thioxo-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]pyrrolidine-2-carboxylate CAS Name: 1-[4-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]-2-pyrrolidinecarboxylate IUPAC Name: 1-[4-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-[[(2-thioxo-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]phenyl]pyrrolidine-2-carboxylate Formula: C19H19N4O3S- MolecularWeight: 383.44416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=C(C=C2)OCNC3=CC4=C(C=C3)NC(=S)N4)C(=O)[O-]

Isomeric SMILES

C1CC(N(C1)C2=CC=C(C=C2)OCNC3=CC4=C(C=C3)NC(=S)N4)C(=O)[O-]

InChI

InChI=1S/C19H20N4O3S/c24-18(25)17-2-1-9-23(17)13-4-6-14(7-5-13)26-11-20-12-3-8-15-16(10-12)22-19(27)21-15/h3-8,10,17,20H,1-2,9,11H2,(H,24,25)(H2,21,22,27)/p-1