3-[[2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]-N,2-dimethyl-benzamide

Systemtic Name: 3-[[2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]-N,2-dimethyl-benzamide Openeye Name: 3-[[2-[(4-chloro-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoyl]amino]-N,2-dimethyl-benzamide CAS Name: 3-[[2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-N,2-dimethylbenzamide IUPAC Name: 3-[[2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]-N,2-dimethylbenzamide Traditional Name: 3-[[2-[(4-chloro-3-nitro-benzoyl)amino]-4-(methylthio)butanoyl]amino]-N,2-dimethyl-benzamide Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC

InChI

InChI=1S/C21H23ClN4O5S/c1-12-14(20(28)23-2)5-4-6-16(12)24-21(29)17(9-10-32-3)25-19(27)13-7-8-15(22)18(11-13)26(30)31/h4-8,11,17H,9-10H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)