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

Systemtic Name: 2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]-3-phenyl-propanamide Openeye Name: 2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenyl-propanamide CAS Name: 2-[[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-phenylpropanamide IUPAC Name: 2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenylpropanamide Traditional Name: 2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenyl-propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c23-20(28)18(14-15-6-2-1-3-7-15)25-22(30)26-12-10-16(11-13-26)27-19-9-5-4-8-17(19)24-21(27)29/h1-9,16,18H,10-14H2,(H2,23,28)(H,24,29)(H,25,30)