N-(1,3-benzodioxol-5-ylmethyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: 4-(methylthio)-2-phthalimido-N-piperonyl-butyramide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O5S/c1-29-9-8-16(23-20(25)14-4-2-3-5-15(14)21(23)26)19(24)22-11-13-6-7-17-18(10-13)28-12-27-17/h2-7,10,16H,8-9,11-12H2,1H3,(H,22,24)