N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]amino]amine Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-29-20-12-16(13-23-25-22-24-18-4-2-3-5-21(18)31-22)8-11-19(20)30-14-15-6-9-17(10-7-15)26(27)28/h2-13H,14H2,1H3,(H,24,25)/b23-13+