6-(1,3-benzodioxol-5-ylmethylamino)-2,3-dimethoxy-thioxanthen-9-one

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethylamino)-2,3-dimethoxy-thioxanthen-9-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethylamino)-2,3-dimethoxy-thioxanthen-9-one CAS Name: 6-(1,3-benzodioxol-5-ylmethylamino)-2,3-dimethoxy-9-thioxanthenone IUPAC Name: 6-(1,3-benzodioxol-5-ylmethylamino)-2,3-dimethoxythioxanthen-9-one Traditional Name: 2,3-dimethoxy-6-(piperonylamino)thioxanthen-9-one Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)NCC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)NCC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C23H19NO5S/c1-26-18-9-16-22(10-19(18)27-2)30-21-8-14(4-5-15(21)23(16)25)24-11-13-3-6-17-20(7-13)29-12-28-17/h3-10,24H,11-12H2,1-2H3