2-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C22H23N5O4S2 MolecularWeight: 485.57912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H23N5O4S2/c1-2-31-17-7-8-18-19(13-17)25-22(24-18)32-15-21(28)26-9-11-27(12-10-26)33(29,30)20-6-4-3-5-16(20)14-23/h3-8,13H,2,9-12,15H2,1H3,(H,24,25)