4-[2-[[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[(2S)-3-methyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCC1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O5S/c1-11(2)16(18(25)21-7-3-4-8-21)20-15(23)10-28-14-6-5-12(17(19)24)9-13(14)22(26)27/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3,(H2,19,24)(H,20,23)/t16-/m0/s1