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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(cyclohexylamino)propylamino]methylene]-5-phenyl-2-pyrazolin-3-one Formula: C26H29N5OS MolecularWeight: 459.60636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NCCCNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5OS/c32-25-21(18-27-16-9-17-28-20-12-5-2-6-13-20)24(19-10-3-1-4-11-19)30-31(25)26-29-22-14-7-8-15-23(22)33-26/h1,3-4,7-8,10-11,14-15,18,20,27-28H,2,5-6,9,12-13,16-17H2