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

Systemtic Name: N-[(5-chloranyl-1,3-benzoxazol-2-yl)methyl]-N-(phenylmethyl)-2-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-propylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(phenylmethyl)-2-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-propylsulfanylpyridine-3-carboxamide Traditional Name: N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-(propylthio)nicotinamide Formula: C24H22ClN3O2S MolecularWeight: 451.96838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O2S/c1-2-13-31-23-19(9-6-12-26-23)24(29)28(15-17-7-4-3-5-8-17)16-22-27-20-14-18(25)10-11-21(20)30-22/h3-12,14H,2,13,15-16H2,1H3