N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]-piperonylamide Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H16N2O4S/c1-26-17-8-7-14(22-24-15-4-2-3-5-20(15)29-22)10-16(17)23-21(25)13-6-9-18-19(11-13)28-12-27-18/h2-11H,12H2,1H3,(H,23,25)