4-(1-ethylbenzimidazol-2-yl)-4-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1-ethylbenzimidazol-2-yl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-ethylbenzimidazol-2-yl)-4-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-ethyl-2-benzimidazolyl)-4-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1-ethylbenzimidazol-2-yl)-4-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-ethylbenzimidazol-2-yl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C22H28N5S+ MolecularWeight: 394.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1[N+]3(CCN(CC3)C(=S)N)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1[N+]3(CCN(CC3)C(=S)N)CCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5S/c1-2-26-20-11-7-6-10-19(20)24-22(26)27(15-12-18-8-4-3-5-9-18)16-13-25(14-17-27)21(23)28/h3-11H,2,12-17H2,1H3,(H-,23,28)/p+1