ethyl N'-[1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]carbamimidothioate

Systemtic Name: ethyl N'-[1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]carbamimidothioate Openeye Name: 3-[1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-2-ethyl-isothiourea CAS Name: N'-[1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]-5-benzimidazolyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]carbamimidothioate Traditional Name: 3-[1-(2-diethylaminoethyl)-2-(4-ethoxybenzyl)benzimidazol-5-yl]-2-ethyl-isothiourea Formula: C25H35N5OS MolecularWeight: 453.6433

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)N=C(N)SCC)N=C1CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)N=C(N)SCC)N=C1CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C25H35N5OS/c1-5-29(6-2)15-16-30-23-14-11-20(27-25(26)32-8-4)18-22(23)28-24(30)17-19-9-12-21(13-10-19)31-7-3/h9-14,18H,5-8,15-17H2,1-4H3,(H2,26,27)