1-[5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furanyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furoyl]isonipecotamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(O3)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(O3)C(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C20H21N3O4S/c1-12-2-4-16-15(10-12)22-20(27-16)28-11-14-3-5-17(26-14)19(25)23-8-6-13(7-9-23)18(21)24/h2-5,10,13H,6-9,11H2,1H3,(H2,21,24)