N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-methylpiperazino)-1,3-benzothiazol-6-yl]-piperonylamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N4O3S/c1-23-6-8-24(9-7-23)20-22-15-4-3-14(11-18(15)28-20)21-19(25)13-2-5-16-17(10-13)27-12-26-16/h2-5,10-11H,6-9,12H2,1H3,(H,21,25)