2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[4-(2-furylmethylcarbamoylamino)phenyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[4-[[(2-furanylmethylamino)-oxomethyl]amino]phenyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[4-(2-furfurylcarbamoylamino)phenyl]benzamide Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NC4=CC=C(C=C4)NC(=O)NCC5=CC=CO5

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NC4=CC=C(C=C4)NC(=O)NCC5=CC=CO5

InChI

InChI=1S/C27H22N4O4S/c32-25(29-19-11-13-20(14-12-19)30-26(33)28-16-21-7-5-15-34-21)22-8-2-1-6-18(22)17-36-27-31-23-9-3-4-10-24(23)35-27/h1-15H,16-17H2,(H,29,32)(H2,28,30,33)