4-chloranyl-N-[(2S)-1-[(1-ethanoyl-2,3-dihydroindol-5-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(1-ethanoyl-2,3-dihydroindol-5-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-[(1-acetylindolin-5-yl)carbamoyl]-3-methylsulfanyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2S)-1-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1S)-1-[(1-acetylindolin-5-yl)carbamoyl]-3-(methylthio)propyl]-4-chloro-3-nitro-benzamide Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C(CCSC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)[C@H](CCSC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O5S/c1-13(28)26-9-7-14-11-16(4-6-19(14)26)24-22(30)18(8-10-33-2)25-21(29)15-3-5-17(23)20(12-15)27(31)32/h3-6,11-12,18H,7-10H2,1-2H3,(H,24,30)(H,25,29)/t18-/m0/s1