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

Systemtic Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-5-benzimidazolyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-ethyl-benzimidazol-5-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C23H32N7OS2+ MolecularWeight: 486.67648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7OS2/c1-4-30-20-6-5-18(27-22(32)24-7-8-29-9-11-31-12-10-29)14-19(20)28-21(30)15-33-23-25-16(2)13-17(3)26-23/h5-6,13-14H,4,7-12,15H2,1-3H3,(H2,24,27,32)/p+1