N-[1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[1-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[1-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-3-methylsulfanyl-propyl]-3-methyl-benzamide CAS Name: N-[1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: 3-methyl-N-[3-(methylthio)-1-[(piperonyloylamino)carbamoyl]propyl]benzamide Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23N3O5S/c1-13-4-3-5-14(10-13)19(25)22-16(8-9-30-2)21(27)24-23-20(26)15-6-7-17-18(11-15)29-12-28-17/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)