N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C22H22N4O2S/c1-14(2)16-5-7-17(8-6-16)28-13-26-11-10-19(25-26)21(27)24-22-23-18-9-4-15(3)12-20(18)29-22/h4-12,14H,13H2,1-3H3,(H,23,24,27)