N-[2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(p-tolylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[(4-methylbenzyl)thio]-1,3-benzothiazol-6-yl]-piperonylamide Formula: C23H18N2O3S2 MolecularWeight: 434.53062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N2O3S2/c1-14-2-4-15(5-3-14)12-29-23-25-18-8-7-17(11-21(18)30-23)24-22(26)16-6-9-19-20(10-16)28-13-27-19/h2-11H,12-13H2,1H3,(H,24,26)