N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-(2-chloro-4-nitro-phenyl)furan-2-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-(2-chloro-4-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-(2-chloro-4-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-(2-chloro-4-nitro-phenyl)-2-furamide Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN4O4S/c1-32-11-10-18(21-24-16-4-2-3-5-17(16)25-21)26-22(28)20-9-8-19(31-20)14-7-6-13(27(29)30)12-15(14)23/h2-9,12,18H,10-11H2,1H3,(H,24,25)(H,26,28)/t18-/m0/s1