N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-4-fluoranyl-benzamide

Systemtic Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-4-fluoranyl-benzamide Openeye Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methyleneamino]-4-fluoro-benzamide CAS Name: N-[(E)-[2-(1,3-benzoxazol-2-ylthio)-1-cyclohexenyl]methylideneamino]-4-fluorobenzamide IUPAC Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-4-fluorobenzamide Traditional Name: N-[(E)-[2-(1,3-benzoxazol-2-ylthio)cyclohexen-1-yl]methyleneamino]-4-fluoro-benzamide Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C=NNC(=O)C2=CC=C(C=C2)F)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCC(=C(C1)/C=N/NC(=O)C2=CC=C(C=C2)F)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18FN3O2S/c22-16-11-9-14(10-12-16)20(26)25-23-13-15-5-1-4-8-19(15)28-21-24-17-6-2-3-7-18(17)27-21/h2-3,6-7,9-13H,1,4-5,8H2,(H,25,26)/b23-13+