4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(2-thioxo-3H-benzimidazol-1-yl)-1-piperidyl]piperidine-1-carboxylic acid CAS Name: 4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)-1-piperidinyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(2-thioxo-3H-benzimidazol-1-yl)piperidino]piperidine-1-carboxylic acid Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=S)C4CCN(CC4)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=S)C4CCN(CC4)C(=O)O

InChI

InChI=1S/C18H24N4O2S/c23-18(24)21-11-5-13(6-12-21)20-9-7-14(8-10-20)22-16-4-2-1-3-15(16)19-17(22)25/h1-4,13-14H,5-12H2,(H,19,25)(H,23,24)