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

Systemtic Name: 2-azanyl-3-[3-[3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]phenyl]phenyl]propanamide Openeye Name: 2-amino-3-[3-[3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]phenyl]phenyl]propanamide CAS Name: 2-amino-3-[3-[3-[(6-nitro-1H-benzimidazol-2-yl)thio]phenyl]phenyl]propanamide IUPAC Name: 2-amino-3-[3-[3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]phenyl]phenyl]propanamide Traditional Name: 2-amino-3-[3-[3-[(6-nitro-1H-benzimidazol-2-yl)thio]phenyl]phenyl]propionamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(C(=O)N)N)C2=CC(=CC=C2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CC(C(=O)N)N)C2=CC(=CC=C2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S/c23-18(21(24)28)10-13-3-1-4-14(9-13)15-5-2-6-17(11-15)31-22-25-19-8-7-16(27(29)30)12-20(19)26-22/h1-9,11-12,18H,10,23H2,(H2,24,28)(H,25,26)