[5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-ethyl-5-(piperonylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NCC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

CCN1C2=C(CC(CC2)NCC3=CC4=C(C=C3)OCO4)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C22H28N4O3S/c1-2-26-18-5-4-16(23-13-15-3-6-19-20(11-15)29-14-28-19)12-17(18)21(24-26)22(27)25-7-9-30-10-8-25/h3,6,11,16,23H,2,4-5,7-10,12-14H2,1H3