propan-2-yl 3-[2-[[5-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-[[5-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[[5-[(1,3-benzodioxole-5-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[[5-[(1,3-benzodioxole-5-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-methyl-5-[(piperonyloylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C24H25N5O6S MolecularWeight: 511.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H25N5O6S/c1-14(2)35-23(32)16-5-4-6-17(9-16)26-21(30)12-36-24-28-27-20(29(24)3)11-25-22(31)15-7-8-18-19(10-15)34-13-33-18/h4-10,14H,11-13H2,1-3H3,(H,25,31)(H,26,30)