5-chloranyl-1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one

Systemtic Name: 5-chloranyl-1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one Openeye Name: 5-chloro-1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one CAS Name: 5-chloro-1-[2-(dibutylamino)ethylamino]-4-methyl-9-thioxanthenone IUPAC Name: 5-chloro-1-[2-(dibutylamino)ethylamino]-4-methylthioxanthen-9-one Traditional Name: 5-chloro-1-[2-(dibutylamino)ethylamino]-4-methyl-thioxanthen-9-one Formula: C24H31ClN2OS MolecularWeight: 431.03374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC=C3Cl

Isomeric SMILES

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC=C3Cl

InChI

InChI=1S/C24H31ClN2OS/c1-4-6-14-27(15-7-5-2)16-13-26-20-12-11-17(3)23-21(20)22(28)18-9-8-10-19(25)24(18)29-23/h8-12,26H,4-7,13-16H2,1-3H3