1-[2-(dibutylamino)ethylamino]-4-methyl-7-nitro-thioxanthen-9-one chloride

Systemtic Name: 1-[2-(dibutylamino)ethylamino]-4-methyl-7-nitro-thioxanthen-9-one chloride Openeye Name: 1-[2-(dibutylamino)ethylamino]-4-methyl-7-nitro-thioxanthen-9-one chloride CAS Name: 1-[2-(dibutylamino)ethylamino]-4-methyl-7-nitro-9-thioxanthenone chloride IUPAC Name: 1-[2-(dibutylamino)ethylamino]-4-methyl-7-nitrothioxanthen-9-one chloride Traditional Name: 1-[2-(dibutylamino)ethylamino]-4-methyl-7-nitro-thioxanthen-9-one chloride Formula: C24H31ClN3O3S- MolecularWeight: 477.03924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C24H31N3O3S.ClH/c1-4-6-13-26(14-7-5-2)15-12-25-20-10-8-17(3)24-22(20)23(28)19-16-18(27(29)30)9-11-21(19)31-24;/h8-11,16,25H,4-7,12-15H2,1-3H3;1H/p-1