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

Systemtic Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c1-29-8-7-15(21-18(23)12-3-2-4-14(9-12)22(25)26)19(24)20-13-5-6-16-17(10-13)28-11-27-16/h2-6,9-10,15H,7-8,11H2,1H3,(H,20,24)(H,21,23)/t15-/m1/s1