(4R)-2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-5-propyl-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-5-propyl-4H-pyrazol-3-one Openeye Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-5-propyl-4H-pyrazol-3-one CAS Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[1-[2-(1-piperazinyl)ethylimino]ethyl]-5-propyl-4H-pyrazol-3-one IUPAC Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-5-propyl-4H-pyrazol-3-one Traditional Name: (4R)-2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-piperazinoethyl)carbonimidoyl]-5-propyl-2-pyrazolin-3-one Formula: C21H28N6OS MolecularWeight: 412.55162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C(=NCCN2CCNCC2)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C(=NCCN2CCNCC2)C)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/h4-5,7-8,19,22H,3,6,9-14H2,1-2H3/t19-/m1/s1