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

Systemtic Name: N-[(5-chloranyl-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyethyl)-2-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyethyl)-2-propylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyethyl)-2-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyethyl)-2-propylsulfanylpyridine-3-carboxamide Traditional Name: N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyethyl)-2-(propylthio)nicotinamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N(CCOC)CC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N(CCOC)CC2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-3-11-28-19-15(5-4-8-22-19)20(25)24(9-10-26-2)13-18-23-16-12-14(21)6-7-17(16)27-18/h4-8,12H,3,9-11,13H2,1-2H3