1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-5-benzimidazolyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-ethyl-benzimidazol-5-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C24H34N7OS2+ MolecularWeight: 500.70306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3)N=C1CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3)N=C1CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C24H33N7OS2/c1-4-31-21-7-6-19(28-23(33)25-8-5-9-30-10-12-32-13-11-30)15-20(21)29-22(31)16-34-24-26-17(2)14-18(3)27-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3,(H2,25,28,33)/p+1