2-(1,3-benzothiazol-2-yl)-4-[[2-(4-cyclopropylcarbonylpiperazin-1-yl)ethylamino]methylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-(4-cyclopropylcarbonylpiperazin-1-yl)ethylamino]methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethylamino]methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]ethylamino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethylamino]methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-[4-(cyclopropanecarbonyl)piperazino]ethylamino]methylene]-5-phenyl-2-pyrazolin-3-one Formula: C27H28N6O2S MolecularWeight: 500.61522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)CCNC=C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)CCNC=C3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C27H28N6O2S/c34-25(20-10-11-20)32-16-14-31(15-17-32)13-12-28-18-21-24(19-6-2-1-3-7-19)30-33(26(21)35)27-29-22-8-4-5-9-23(22)36-27/h1-9,18,20,28H,10-17H2