N-[(2S)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1S)-1-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-3-methylsulfanyl-propyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1S)-3-(methylthio)-1-[(piperonyloylamino)carbamoyl]propyl]-2-phenoxy-acetamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O6S/c1-31-10-9-16(22-19(25)12-28-15-5-3-2-4-6-15)21(27)24-23-20(26)14-7-8-17-18(11-14)30-13-29-17/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,25)(H,23,26)(H,24,27)/t16-/m0/s1