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

Systemtic Name: 4-chloranyl-N-[1-[[3-(methylcarbamoyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[[3-(methylcarbamoyl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[3-(methylcarbamoyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[3-(methylcarbamoyl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[[3-(methylcarbamoyl)phenyl]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O5S/c1-22-18(26)12-4-3-5-14(10-12)23-20(28)16(8-9-31-2)24-19(27)13-6-7-15(21)17(11-13)25(29)30/h3-7,10-11,16H,8-9H2,1-2H3,(H,22,26)(H,23,28)(H,24,27)