N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-isopropyl-N-(3-morpholinopropyl)pyrazole-3-carboxamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-isopropyl-N-(3-morpholinopropyl)pyrazole-3-carboxamide Formula: C22H28ClN5O2S MolecularWeight: 462.00802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CCCN3CCOCC3)C(=O)C4=NN(C=C4)C(C)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CCCN3CCOCC3)C(=O)C4=NN(C=C4)C(C)C)Cl

InChI

InChI=1S/C22H28ClN5O2S/c1-15(2)28-10-7-18(25-28)21(29)27(9-4-8-26-11-13-30-14-12-26)22-24-20-16(3)17(23)5-6-19(20)31-22/h5-7,10,15H,4,8-9,11-14H2,1-3H3