1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(6-chloro-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-(4-piperonylpiperazino)ethanone Formula: C21H21ClN4O3S MolecularWeight: 444.93444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C21H21ClN4O3S/c22-15-2-3-16-17(10-15)24-21(23-16)30-12-20(27)26-7-5-25(6-8-26)11-14-1-4-18-19(9-14)29-13-28-18/h1-4,9-10H,5-8,11-13H2,(H,23,24)