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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S/c1-13(2)29-15-9-7-14(8-10-15)11-19-23-24-21(28-19)22-20(25)18-12-26-16-5-3-4-6-17(16)27-18/h3-10,13,18H,11-12H2,1-2H3,(H,22,24,25)