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

Systemtic Name: 2-chloranyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]-4-nitro-benzamide Openeye Name: N-[(1R)-1-(allylcarbamoyl)-3-methylsulfanyl-propyl]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-N-[(2R)-4-(methylthio)-1-oxo-1-(prop-2-enylamino)butan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]-4-nitrobenzamide Traditional Name: N-[(1R)-1-(allylcarbamoyl)-3-(methylthio)propyl]-2-chloro-4-nitro-benzamide Formula: C15H18ClN3O4S MolecularWeight: 371.83912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O4S/c1-3-7-17-15(21)13(6-8-24-2)18-14(20)11-5-4-10(19(22)23)9-12(11)16/h3-5,9,13H,1,6-8H2,2H3,(H,17,21)(H,18,20)/t13-/m1/s1