N-[4-(cyanomethyl)phenyl]-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)CC#N)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)CC#N)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H19N3O3S/c23-12-11-16-7-9-17(10-8-16)25-22(27)19-5-1-2-6-20(19)29-15-21(26)24-14-18-4-3-13-28-18/h1-10,13H,11,14-15H2,(H,24,26)(H,25,27)