(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-propan-2-yloxypropylamino)ethylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-propan-2-yloxypropylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-isopropoxypropylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-propan-2-yloxypropylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-propan-2-yloxypropylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-isopropoxypropylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCCOC(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCCCOC(C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H28N4O2S/c1-5-9-17-19(15(4)22-12-8-13-27-14(2)3)20(26)25(24-17)21-23-16-10-6-7-11-18(16)28-21/h6-7,10-11,14,22H,5,8-9,12-13H2,1-4H3/b19-15-