N-[(E)-(3,4-diethoxy-5-iodanyl-phenyl)methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-(3,4-diethoxy-5-iodanyl-phenyl)methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-(3,4-diethoxy-5-iodo-phenyl)methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-(3,4-diethoxy-5-iodo-benzylidene)amino]amine Formula: C18H18IN3O2S MolecularWeight: 467.32389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)I)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)I)OCC

InChI

InChI=1S/C18H18IN3O2S/c1-3-23-15-10-12(9-13(19)17(15)24-4-2)11-20-22-18-21-14-7-5-6-8-16(14)25-18/h5-11H,3-4H2,1-2H3,(H,21,22)/b20-11+