N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide hydrochloride

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide hydrochloride Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(3-morpholinopropyl)pyrazole-3-carboxamide hydrochloride CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-[3-(4-morpholinyl)propyl]-3-pyrazolecarboxamide hydrochloride IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide hydrochloride Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(3-morpholinopropyl)pyrazole-3-carboxamide hydrochloride Formula: C21H28ClN5O2S MolecularWeight: 449.99732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=NN(C=C4)C)C.Cl

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=NN(C=C4)C)C.Cl

InChI

InChI=1S/C21H27N5O2S.ClH/c1-15-13-16(2)19-18(14-15)29-21(22-19)26(20(27)17-5-8-24(3)23-17)7-4-6-25-9-11-28-12-10-25;/h5,8,13-14H,4,6-7,9-12H2,1-3H3;1H