N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[2-(2-methoxy-4-methylphenoxy)ethylthio]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[2-(2-methoxy-4-methylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[2-(2-methoxy-4-methyl-phenoxy)ethylthio]-1,3-benzothiazol-6-yl]-piperonylamide Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H22N2O5S2/c1-15-3-7-19(21(11-15)29-2)30-9-10-33-25-27-18-6-5-17(13-23(18)34-25)26-24(28)16-4-8-20-22(12-16)32-14-31-20/h3-8,11-13H,9-10,14H2,1-2H3,(H,26,28)