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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(cycloheptylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2CCCCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NC2CCCCCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H28N4OS/c1-3-10-18-20(15(2)23-16-11-6-4-5-7-12-16)21(27)26(25-18)22-24-17-13-8-9-14-19(17)28-22/h8-9,13-14,16,23H,3-7,10-12H2,1-2H3/b20-15-