N-[3-(2-tert-butylsulfanylethanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(2-tert-butylsulfanylethanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[(2-tert-butylsulfanylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[2-(tert-butylthio)-1-oxoethyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[(2-tert-butylsulfanylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[2-(tert-butylthio)acetyl]amino]phenyl]-piperonylamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O4S/c1-20(2,3)27-11-18(23)21-14-5-4-6-15(10-14)22-19(24)13-7-8-16-17(9-13)26-12-25-16/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24)