(4R)-2-(1,3-benzothiazol-2-yl)-4-[3-(cyclohexylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[3-(cyclohexylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one Openeye Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[3-(cyclohexylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one CAS Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[3-(cyclohexylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one IUPAC Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[3-(cyclohexylamino)propyliminomethyl]-5-propyl-4H-pyrazol-3-one Traditional Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[3-(cyclohexylamino)propyliminomethyl]-5-propyl-2-pyrazolin-3-one Formula: C23H31N5OS MolecularWeight: 425.59014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=NCCCNC2CCCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=NCCCNC2CCCCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H31N5OS/c1-2-9-19-18(16-24-14-8-15-25-17-10-4-3-5-11-17)22(29)28(27-19)23-26-20-12-6-7-13-21(20)30-23/h6-7,12-13,16-18,25H,2-5,8-11,14-15H2,1H3/t18-/m1/s1