4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxidanylidenecyclohexylidene)amino]benzamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxidanylidenecyclohexylidene)amino]benzamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxocyclohexylidene)amino]benzamide CAS Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(E)-(3-oxocyclohexylidene)amino]benzamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxocyclohexylidene)amino]benzamide Traditional Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(E)-(3-ketocyclohexylidene)amino]benzamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4O3)CC(=O)C1

Isomeric SMILES

C1C/C(=N\NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4O3)/CC(=O)C1

InChI

InChI=1S/C21H19N3O3S/c25-17-5-3-4-16(12-17)23-24-20(26)15-10-8-14(9-11-15)13-28-21-22-18-6-1-2-7-19(18)27-21/h1-2,6-11H,3-5,12-13H2,(H,24,26)/b23-16+