N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H25N5O4S/c1-13-11-18(24-30-13)23-20(28)14(2)31-12-19(27)25-9-7-15(8-10-25)26-17-6-4-3-5-16(17)22-21(26)29/h3-6,11,14-15H,7-10,12H2,1-2H3,(H,22,29)(H,23,24,28)