N-[3-(benzimidazol-1-yl)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCCN3C=NC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H23N5O2S/c1-15-18(16(2)29-26-15)13-30-22-17(7-5-10-24-22)21(28)23-11-6-12-27-14-25-19-8-3-4-9-20(19)27/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,23,28)