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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]thiourea Formula: C22H20N6O2S2 MolecularWeight: 464.5632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N6O2S2/c1-13-7-8-23-22(24-13)32-11-20-27-16-9-14(3-5-17(16)28(20)2)25-21(31)26-15-4-6-18-19(10-15)30-12-29-18/h3-10H,11-12H2,1-2H3,(H2,25,26,31)