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

Systemtic Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-oxidanyl-butanamide Openeye Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyleneamino]-4-hydroxy-butanamide CAS Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylideneamino]-4-hydroxybutanamide IUPAC Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-4-hydroxybutanamide Traditional Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]amino]-4-hydroxy-butyramide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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)CCCO)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S2/c23-9-3-6-17(24)21-19-11-12-7-8-16(14(10-12)22(25)26)28-18-20-13-4-1-2-5-15(13)27-18/h1-2,4-5,7-8,10-11,23H,3,6,9H2,(H,21,24)/b19-11+