4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-butyl-1-phenyl-pyrazolidin-3-one

Systemtic Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-butyl-1-phenyl-pyrazolidin-3-one Openeye Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-butyl-1-phenyl-pyrazolidin-3-one CAS Name: 4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-butyl-1-phenyl-3-pyrazolidinone IUPAC Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-butyl-1-phenylpyrazolidin-3-one Traditional Name: 4-[4-(1,2-benzothiazol-3-yl)piperazino]-2-butyl-1-phenyl-pyrazolidin-3-one Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(CN1C2=CC=CC=C2)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CCCCN1C(=O)C(CN1C2=CC=CC=C2)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C24H29N5OS/c1-2-3-13-28-24(30)21(18-29(28)19-9-5-4-6-10-19)26-14-16-27(17-15-26)23-20-11-7-8-12-22(20)31-25-23/h4-12,21H,2-3,13-18H2,1H3