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

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methylsulfanyl-propyl]-3-methyl-benzamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: 3-methyl-N-[3-(methylthio)-1-(piperonylcarbamoyl)propyl]benzamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O4S/c1-14-4-3-5-16(10-14)20(24)23-17(8-9-28-2)21(25)22-12-15-6-7-18-19(11-15)27-13-26-18/h3-7,10-11,17H,8-9,12-13H2,1-2H3,(H,22,25)(H,23,24)