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

Systemtic Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C22H30N7OS2+ MolecularWeight: 472.6499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NCC[NH+]4CCOCC4)C

InChI

InChI=1S/C22H29N7OS2/c1-15-12-16(2)25-22(24-15)32-14-20-27-18-13-17(4-5-19(18)28(20)3)26-21(31)23-6-7-29-8-10-30-11-9-29/h4-5,12-13H,6-11,14H2,1-3H3,(H2,23,26,31)/p+1