1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione

Systemtic Name: 1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione Openeye Name: 1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione CAS Name: 1-[(4-ethyl-1-piperazin-4-iumyl)methyl]-3-(4-methoxyphenyl)-2-benzimidazolethione IUPAC Name: 1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione Traditional Name: 1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-(4-methoxyphenyl)benzimidazole-2-thione Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C3=CC=CC=C3N(C2=S)C4=CC=C(C=C4)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C3=CC=CC=C3N(C2=S)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H26N4OS/c1-3-22-12-14-23(15-13-22)16-24-19-6-4-5-7-20(19)25(21(24)27)17-8-10-18(26-2)11-9-17/h4-11H,3,12-16H2,1-2H3/p+1