N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-7-morpholin-4-yl-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-7-morpholin-4-yl-1,3-benzothiazole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-7-morpholino-1,3-benzothiazole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-7-(4-morpholinyl)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-7-morpholin-4-yl-1,3-benzothiazole-2-carboxamide Traditional Name: 4-methoxy-7-morpholino-N-piperonyl-1,3-benzothiazole-2-carboxamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O5S/c1-26-16-5-3-14(24-6-8-27-9-7-24)19-18(16)23-21(30-19)20(25)22-11-13-2-4-15-17(10-13)29-12-28-15/h2-5,10H,6-9,11-12H2,1H3,(H,22,25)