N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-1-methyl-pyrazole-4-carboxamide Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

Isomeric SMILES

CN1C=C(C=N1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

InChI

InChI=1S/C18H20N4O4S/c1-22-8-11(7-19-22)17(23)21-18-20-15-14(24-2)4-3-13(16(15)27-18)12-9-25-5-6-26-10-12/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,20,21,23)