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

Systemtic Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[(1R)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@H](CCSC)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O5S/c1-25-16-6-4-3-5-14(16)19(23)22-15(9-10-28-2)20(24)21-13-7-8-17-18(11-13)27-12-26-17/h3-8,11,15H,9-10,12H2,1-2H3,(H,21,24)(H,22,23)/t15-/m1/s1