N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3S/c1-31-13-10-18(21-23-16-6-2-3-7-17(16)24-21)25-22(28)15-8-9-19(20(14-15)27(29)30)26-11-4-5-12-26/h2-3,6-9,14,18H,4-5,10-13H2,1H3,(H,23,24)(H,25,28)