3-butyl-2-piperazin-1-yl-4-(9H-thioxanthen-9-yl)-3H-isoindol-1-one

Systemtic Name: 3-butyl-2-piperazin-1-yl-4-(9H-thioxanthen-9-yl)-3H-isoindol-1-one Openeye Name: 3-butyl-2-piperazin-1-yl-4-(9H-thioxanthen-9-yl)isoindolin-1-one CAS Name: 3-butyl-2-(1-piperazinyl)-4-(9H-thioxanthen-9-yl)-3H-isoindol-1-one IUPAC Name: 3-butyl-2-piperazin-1-yl-4-(9H-thioxanthen-9-yl)-3H-isoindol-1-one Traditional Name: 3-butyl-2-piperazino-4-(9H-thioxanthen-9-yl)isoindolin-1-one Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C=CC=C2C3C4=CC=CC=C4SC5=CC=CC=C35)C(=O)N1N6CCNCC6

Isomeric SMILES

CCCCC1C2=C(C=CC=C2C3C4=CC=CC=C4SC5=CC=CC=C35)C(=O)N1N6CCNCC6

InChI

InChI=1S/C29H31N3OS/c1-2-3-13-24-28-22(11-8-12-23(28)29(33)32(24)31-18-16-30-17-19-31)27-20-9-4-6-14-25(20)34-26-15-7-5-10-21(26)27/h4-12,14-15,24,27,30H,2-3,13,16-19H2,1H3