1-[7-chloranyl-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]propan-1-one

Systemtic Name: 1-[7-chloranyl-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]propan-1-one Openeye Name: 1-[7-chloro-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]propan-1-one CAS Name: 1-[7-chloro-9-[(4-methyl-1-piperazinyl)methyl]-9H-thioxanthen-2-yl]-1-propanone IUPAC Name: 1-[7-chloro-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]propan-1-one Traditional Name: 1-[7-chloro-9-[(4-methylpiperazino)methyl]-9H-thioxanthen-2-yl]propan-1-one Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)SC3=C(C2CN4CCN(CC4)C)C=C(C=C3)Cl

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)SC3=C(C2CN4CCN(CC4)C)C=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2OS/c1-3-20(26)15-4-6-21-17(12-15)19(14-25-10-8-24(2)9-11-25)18-13-16(23)5-7-22(18)27-21/h4-7,12-13,19H,3,8-11,14H2,1-2H3