2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenyl-propionic acid Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H24N4O3S/c27-20(28)18(14-15-6-2-1-3-7-15)24-22(30)25-12-10-16(11-13-25)26-19-9-5-4-8-17(19)23-21(26)29/h1-9,16,18H,10-14H2,(H,23,29)(H,24,30)(H,27,28)