1-[3-(dibutylamino)propylamino]-4-methyl-thioxanthen-9-one

Systemtic Name: 1-[3-(dibutylamino)propylamino]-4-methyl-thioxanthen-9-one Openeye Name: 1-[3-(dibutylamino)propylamino]-4-methyl-thioxanthen-9-one CAS Name: 1-[3-(dibutylamino)propylamino]-4-methyl-9-thioxanthenone IUPAC Name: 1-[3-(dibutylamino)propylamino]-4-methylthioxanthen-9-one Traditional Name: 1-[3-(dibutylamino)propylamino]-4-methyl-thioxanthen-9-one Formula: C25H34N2OS MolecularWeight: 410.61526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCN(CCCC)CCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C25H34N2OS/c1-4-6-16-27(17-7-5-2)18-10-15-26-21-14-13-19(3)25-23(21)24(28)20-11-8-9-12-22(20)29-25/h8-9,11-14,26H,4-7,10,15-18H2,1-3H3