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

Systemtic Name: 1-[2-(dibutylamino)ethylamino]-4-nitro-thioxanthen-9-one Openeye Name: 1-[2-(dibutylamino)ethylamino]-4-nitro-thioxanthen-9-one CAS Name: 1-[2-(dibutylamino)ethylamino]-4-nitro-9-thioxanthenone IUPAC Name: 1-[2-(dibutylamino)ethylamino]-4-nitrothioxanthen-9-one Traditional Name: 1-[2-(dibutylamino)ethylamino]-4-nitro-thioxanthen-9-one Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O

InChI

InChI=1S/C23H29N3O3S/c1-3-5-14-25(15-6-4-2)16-13-24-18-11-12-19(26(28)29)23-21(18)22(27)17-9-7-8-10-20(17)30-23/h7-12,24H,3-6,13-16H2,1-2H3