ethyl 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H24N4O2S/c1-2-28-21(27)16-7-9-17(10-8-16)23-22(29)26-13-11-15(12-14-26)20-24-18-5-3-4-6-19(18)25-20/h3-10,15H,2,11-14H2,1H3,(H,23,29)(H,24,25)