N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methylsulfanyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-(piperonylcarbamoyl)propyl]-3-nitro-benzamide Formula: C20H20ClN3O6S MolecularWeight: 465.9073

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O6S/c1-31-7-6-15(23-19(25)13-3-4-14(21)16(9-13)24(27)28)20(26)22-10-12-2-5-17-18(8-12)30-11-29-17/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,22,26)(H,23,25)