3-[1-methyl-6-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid

Systemtic Name: 3-[1-methyl-6-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid Openeye Name: 3-[1-methyl-6-[[(2-thioxo-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid CAS Name: 3-[1-methyl-6-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid IUPAC Name: 3-[1-methyl-6-[[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid Traditional Name: 3-[1-methyl-6-[[(2-thioxo-1,3-dihydrobenzimidazol-5-yl)amino]methoxy]-3,4-dihydro-2H-quinolin-3-yl]propionic acid Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC2=C1C=CC(=C2)OCNC3=CC4=C(C=C3)NC(=S)N4)CCC(=O)O

Isomeric SMILES

CN1CC(CC2=C1C=CC(=C2)OCNC3=CC4=C(C=C3)NC(=S)N4)CCC(=O)O

InChI

InChI=1S/C21H24N4O3S/c1-25-11-13(2-7-20(26)27)8-14-9-16(4-6-19(14)25)28-12-22-15-3-5-17-18(10-15)24-21(29)23-17/h3-6,9-10,13,22H,2,7-8,11-12H2,1H3,(H,26,27)(H2,23,24,29)