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

Systemtic Name: N-[(E)-(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-(3-iodo-5-methoxy-4-propargyloxy-benzylidene)amino]amine Formula: C18H14IN3O2S MolecularWeight: 463.29213

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)I)OCC#C

InChI

InChI=1S/C18H14IN3O2S/c1-3-8-24-17-13(19)9-12(10-15(17)23-2)11-20-22-18-21-14-6-4-5-7-16(14)25-18/h1,4-7,9-11H,8H2,2H3,(H,21,22)/b20-11+