N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-propylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2-propylsulfanyl-N-(p-tolylmethyl)pyridine-3-carboxamide CAS Name: N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-propylsulfanylpyridine-3-carboxamide Traditional Name: N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-(4-methylbenzyl)-2-(propylthio)nicotinamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N(CC2=CC=C(C=C2)C)CC3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N(CC2=CC=C(C=C2)C)CC3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C26H27N3O2S/c1-4-14-32-25-21(6-5-13-27-25)26(30)29(16-20-10-7-18(2)8-11-20)17-24-28-22-15-19(3)9-12-23(22)31-24/h5-13,15H,4,14,16-17H2,1-3H3