N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C19H20ClN5O4S MolecularWeight: 449.9112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN5O4S/c1-29-13-4-6-16-17(10-13)24-19(23-16)30-11-18(26)22-8-2-7-21-15-5-3-12(25(27)28)9-14(15)20/h3-6,9-10,21H,2,7-8,11H2,1H3,(H,22,26)(H,23,24)