(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-piperazin-1-ylethylamino)ethylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-piperazin-1-ylethylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-piperazin-1-ylethylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[2-(1-piperazinyl)ethylamino]ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-piperazin-1-ylethylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-piperazinoethylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCN2CCNCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(\C)/NCCN2CCNCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N6OS/c1-3-6-17-19(15(2)23-11-14-26-12-9-22-10-13-26)20(28)27(25-17)21-24-16-7-4-5-8-18(16)29-21/h4-5,7-8,22-23H,3,6,9-14H2,1-2H3/b19-15+