2-azanyl-3-[3-[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]phenyl]propanamide

Systemtic Name: 2-azanyl-3-[3-[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]phenyl]propanamide Openeye Name: 2-amino-3-[3-[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]phenyl]propanamide CAS Name: 2-amino-3-[3-[4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]phenyl]phenyl]propanamide IUPAC Name: 2-amino-3-[3-[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]phenyl]propanamide Traditional Name: 2-amino-3-[3-[4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]phenyl]phenyl]propionamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(C(=O)N)N)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CC(C(=O)N)N)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3S/c24-19(22(25)29)11-15-2-1-3-17(10-15)16-6-4-14(5-7-16)13-32-23-26-20-9-8-18(28(30)31)12-21(20)27-23/h1-10,12,19H,11,13,24H2,(H2,25,29)(H,26,27)