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

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C18H18ClN5O4S MolecularWeight: 435.88462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN5O4S/c1-28-12-3-5-15-16(9-12)23-18(22-15)29-10-17(25)21-7-6-20-14-4-2-11(24(26)27)8-13(14)19/h2-5,8-9,20H,6-7,10H2,1H3,(H,21,25)(H,22,23)