4-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-phenyl-pyrazole-3-carboxamide Openeye Name: 4-methoxy-N-(2-morpholino-1,3-benzothiazol-6-yl)-1-phenyl-pyrazole-3-carboxamide CAS Name: 4-methoxy-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-1-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-phenylpyrazole-3-carboxamide Traditional Name: 4-methoxy-N-(2-morpholino-1,3-benzothiazol-6-yl)-1-phenyl-pyrazole-3-carboxamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O3S/c1-29-18-14-27(16-5-3-2-4-6-16)25-20(18)21(28)23-15-7-8-17-19(13-15)31-22(24-17)26-9-11-30-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,23,28)