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

Systemtic Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-3-oxidanyl-benzamide Openeye Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyleneamino]-3-hydroxy-benzamide CAS Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylideneamino]-3-hydroxybenzamide IUPAC Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-3-hydroxybenzamide Traditional Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]amino]-3-hydroxy-benzamide Formula: C21H14N4O4S2 MolecularWeight: 450.49026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C=NNC(=O)C4=CC(=CC=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)/C=N/NC(=O)C4=CC(=CC=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O4S2/c26-15-5-3-4-14(11-15)20(27)24-22-12-13-8-9-19(17(10-13)25(28)29)31-21-23-16-6-1-2-7-18(16)30-21/h1-12,26H,(H,24,27)/b22-12+