2-chloranyl-N-[(2S)-1-[(3-ethanoylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[(3-ethanoylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-[(3-acetylphenyl)carbamoyl]-3-methylsulfanyl-propyl]-2-chloro-4-nitro-benzamide CAS Name: N-[(2S)-1-(3-acetylanilino)-4-(methylthio)-1-oxobutan-2-yl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[(2S)-1-(3-acetylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chloro-4-nitrobenzamide Traditional Name: N-[(1S)-1-[(3-acetylphenyl)carbamoyl]-3-(methylthio)propyl]-2-chloro-4-nitro-benzamide Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O5S/c1-12(25)13-4-3-5-14(10-13)22-20(27)18(8-9-30-2)23-19(26)16-7-6-15(24(28)29)11-17(16)21/h3-7,10-11,18H,8-9H2,1-2H3,(H,22,27)(H,23,26)/t18-/m0/s1