N-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[2-(3,5-dimethylphenoxy)ethylthio]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[2-(3,5-dimethylphenoxy)ethylthio]-1,3-benzothiazol-6-yl]-piperonylamide Formula: C25H22N2O4S2 MolecularWeight: 478.58318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S2/c1-15-9-16(2)11-19(10-15)29-7-8-32-25-27-20-5-4-18(13-23(20)33-25)26-24(28)17-3-6-21-22(12-17)31-14-30-21/h3-6,9-13H,7-8,14H2,1-2H3,(H,26,28)