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

Systemtic Name: 1-(2-methoxyphenyl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]thiourea Openeye Name: 1-(2-methoxyphenyl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]thiourea CAS Name: 1-(2-methoxyphenyl)-3-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]thiourea IUPAC Name: 1-(2-methoxyphenyl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]thiourea Traditional Name: 1-(2-methoxyphenyl)-3-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]thiourea Formula: C22H22N6OS2 MolecularWeight: 450.57968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC=CC=C4OC

InChI

InChI=1S/C22H22N6OS2/c1-14-10-11-23-22(24-14)31-13-20-26-17-12-15(8-9-18(17)28(20)2)25-21(30)27-16-6-4-5-7-19(16)29-3/h4-12H,13H2,1-3H3,(H2,25,27,30)