N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-isopropyl-N-(3-morpholinopropyl)pyrazole-3-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-isopropyl-N-(3-morpholinopropyl)pyrazole-3-carboxamide Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC(C)N1C=CC(=N1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C21H26ClN5O2S/c1-15(2)27-10-7-17(24-27)20(28)26(9-4-8-25-11-13-29-14-12-25)21-23-19-16(22)5-3-6-18(19)30-21/h3,5-7,10,15H,4,8-9,11-14H2,1-2H3