4-chloranyl-N-[1-[(1-methylbenzimidazol-2-yl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-[(1-methylbenzimidazol-2-yl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(1-methyl-2-benzimidazolyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(1-methylbenzimidazol-2-yl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C21H22ClN5O4S MolecularWeight: 475.94848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C(CCSC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)C(CCSC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O4S/c1-26-17-6-4-3-5-15(17)24-19(26)12-23-21(29)16(9-10-32-2)25-20(28)13-7-8-14(22)18(11-13)27(30)31/h3-8,11,16H,9-10,12H2,1-2H3,(H,23,29)(H,25,28)