1-(2-dimethylaminoethylamino)-6-methoxy-4-nitro-thioxanthen-9-one

Systemtic Name: 1-(2-dimethylaminoethylamino)-6-methoxy-4-nitro-thioxanthen-9-one Openeye Name: 1-(2-dimethylaminoethylamino)-6-methoxy-4-nitro-thioxanthen-9-one CAS Name: 1-(2-dimethylaminoethylamino)-6-methoxy-4-nitro-9-thioxanthenone IUPAC Name: 1-(2-dimethylaminoethylamino)-6-methoxy-4-nitrothioxanthen-9-one Traditional Name: 1-(2-dimethylaminoethylamino)-6-methoxy-4-nitro-thioxanthen-9-one Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=CC(=C3)OC

Isomeric SMILES

CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=CC(=C3)OC

InChI

InChI=1S/C18H19N3O4S/c1-20(2)9-8-19-13-6-7-14(21(23)24)18-16(13)17(22)12-5-4-11(25-3)10-15(12)26-18/h4-7,10,19H,8-9H2,1-3H3