N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-2-phenoxy-ethanamide

Systemtic Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-2-phenoxy-ethanamide Openeye Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyleneamino]-2-phenoxy-acetamide CAS Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylideneamino]-2-phenoxyacetamide IUPAC Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-phenoxyacetamide Traditional Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]amino]-2-phenoxy-acetamide Formula: C22H16N4O4S2 MolecularWeight: 464.51684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S2/c27-21(14-30-16-6-2-1-3-7-16)25-23-13-15-10-11-20(18(12-15)26(28)29)32-22-24-17-8-4-5-9-19(17)31-22/h1-13H,14H2,(H,25,27)/b23-13+