2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(3-morpholinopropyl)carbonimidoyl]-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[3-(4-morpholinyl)propylimino]ethyl]-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(3-morpholinopropyl)carbonimidoyl]-5-phenyl-2-pyrazolin-3-one Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCN1CCOCC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC(=NCCCN1CCOCC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2S/c1-18(26-12-7-13-29-14-16-32-17-15-29)22-23(19-8-3-2-4-9-19)28-30(24(22)31)25-27-20-10-5-6-11-21(20)33-25/h2-6,8-11,22H,7,12-17H2,1H3