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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]thiourea Formula: C23H22N6O2S2 MolecularWeight: 478.58978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H22N6O2S2/c1-13-8-14(2)25-23(24-13)33-11-21-28-17-9-15(4-6-18(17)29(21)3)26-22(32)27-16-5-7-19-20(10-16)31-12-30-19/h4-10H,11-12H2,1-3H3,(H2,26,27,32)