2-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-[3-(1H-benzimidazol-2-yl)piperidino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H25N5O3S/c1-13-10-18(25-29-13)24-21(28)14(2)30-12-19(27)26-9-5-6-15(11-26)20-22-16-7-3-4-8-17(16)23-20/h3-4,7-8,10,14-15H,5-6,9,11-12H2,1-2H3,(H,22,23)(H,24,25,28)