3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrazole-4-carboxamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC5=C(C=C4)N=C(S5)SC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC5=C(C=C4)N=C(S5)SC

InChI

InChI=1S/C22H20N4O3S2/c1-26-12-15(20(25-26)13-4-7-17-18(10-13)29-9-3-8-28-17)21(27)23-14-5-6-16-19(11-14)31-22(24-16)30-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,27)