N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[5-[[4-(ethylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[5-[4-(ethylthio)benzyl]-1,3,4-oxadiazol-2-yl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3C(OC4=CC=CC=C4O3)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3C(OC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H21N3O4S/c1-3-29-15-10-8-14(9-11-15)12-18-23-24-21(28-18)22-20(25)19-13(2)26-16-6-4-5-7-17(16)27-19/h4-11,13,19H,3,12H2,1-2H3,(H,22,24,25)