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

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethylamino)-1-methoxy-thioxanthen-9-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethylamino)-1-methoxy-thioxanthen-9-one CAS Name: 6-(1,3-benzodioxol-5-ylmethylamino)-1-methoxy-9-thioxanthenone IUPAC Name: 6-(1,3-benzodioxol-5-ylmethylamino)-1-methoxythioxanthen-9-one Traditional Name: 1-methoxy-6-(piperonylamino)thioxanthen-9-one Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC3=C(C2=O)C=CC(=C3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C2C(=CC=C1)SC3=C(C2=O)C=CC(=C3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17NO4S/c1-25-17-3-2-4-19-21(17)22(24)15-7-6-14(10-20(15)28-19)23-11-13-5-8-16-18(9-13)27-12-26-16/h2-10,23H,11-12H2,1H3