N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[2-[(2-cyanophenyl)methylthio]ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[2-[(2-cyanobenzyl)thio]ethylamino]-2-keto-ethyl]-piperonylamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H19N3O4S/c21-10-15-3-1-2-4-16(15)12-28-8-7-22-19(24)11-23-20(25)14-5-6-17-18(9-14)27-13-26-17/h1-6,9H,7-8,11-13H2,(H,22,24)(H,23,25)