N-(cyclopropylcarbamoyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]propionamide Formula: C20H18FN5O4S MolecularWeight: 443.451423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18FN5O4S/c1-11(18(27)24-19(28)22-13-4-5-13)31-20-23-16-10-15(26(29)30)8-9-17(16)25(20)14-6-2-12(21)3-7-14/h2-3,6-11,13H,4-5H2,1H3,(H2,22,24,27,28)