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

Systemtic Name: N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methylsulfanyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: 4-methoxy-N-[(1R)-3-(methylthio)-1-(piperonylcarbamoyl)propyl]benzamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O5S/c1-26-16-6-4-15(5-7-16)20(24)23-17(9-10-29-2)21(25)22-12-14-3-8-18-19(11-14)28-13-27-18/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,22,25)(H,23,24)/t17-/m1/s1