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

Systemtic Name: N-[(E)-[3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-[3-bromo-4-(4-nitrobenzyl)oxy-benzylidene]amino]amine Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H15BrN4O3S/c22-17-11-15(12-23-25-21-24-18-3-1-2-4-20(18)30-21)7-10-19(17)29-13-14-5-8-16(9-6-14)26(27)28/h1-12H,13H2,(H,24,25)/b23-12+