4-chloranyl-N-[(2S)-1-[(4-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(4-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-methyl-2-(4-methylsulfanylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[4-(methylthio)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(4-methylsulfanylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-keto-1-methyl-2-[4-(methylthio)anilino]ethyl]-3-nitro-benzamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)SC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)SC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O4S/c1-10(16(22)20-12-4-6-13(26-2)7-5-12)19-17(23)11-3-8-14(18)15(9-11)21(24)25/h3-10H,1-2H3,(H,19,23)(H,20,22)/t10-/m0/s1