2-[methyl-[3-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)phenyl]amino]propanoate

Systemtic Name: 2-[methyl-[3-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)phenyl]amino]propanoate Openeye Name: 2-[N-methyl-3-(2-thioxo-1,3-dihydrobenzimidazol-5-yl)anilino]propanoate CAS Name: 2-[N-methyl-3-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)anilino]propanoate IUPAC Name: 2-[N-methyl-3-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)anilino]propanoate Traditional Name: 2-[N-methyl-3-(2-thioxo-1,3-dihydrobenzimidazol-5-yl)anilino]propionate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N(C)C1=CC=CC(=C1)C2=CC3=C(C=C2)NC(=S)N3

Isomeric SMILES

CC(C(=O)[O-])N(C)C1=CC=CC(=C1)C2=CC3=C(C=C2)NC(=S)N3

InChI

InChI=1S/C17H17N3O2S/c1-10(16(21)22)20(2)13-5-3-4-11(8-13)12-6-7-14-15(9-12)19-17(23)18-14/h3-10H,1-2H3,(H,21,22)(H2,18,19,23)/p-1