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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSCC[C@H](C(=O)NC1CC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H18ClN3O4S/c1-24-7-6-13(15(21)17-9-2-3-9)18-14(20)11-5-4-10(19(22)23)8-12(11)16/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,17,21)(H,18,20)/t13-/m1/s1