N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-(allylcarbamoyl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-4-(methylthio)-1-oxo-1-(prop-2-enylamino)butan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-(allylcarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC=C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)NCC=C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c1-3-8-16-15(20)13(7-9-23-2)17-14(19)11-5-4-6-12(10-11)18(21)22/h3-6,10,13H,1,7-9H2,2H3,(H,16,20)(H,17,19)/t13-/m1/s1