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

Systemtic Name: 1-(2-chlorophenyl)-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]thiourea Openeye Name: 1-(2-chlorophenyl)-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]thiourea CAS Name: 1-(2-chlorophenyl)-3-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]thiourea IUPAC Name: 1-(2-chlorophenyl)-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]thiourea Traditional Name: 1-(2-chlorophenyl)-3-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]thiourea Formula: C22H21ClN6S2 MolecularWeight: 469.02534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H21ClN6S2/c1-13-10-14(2)25-22(24-13)31-12-20-27-18-11-15(8-9-19(18)29(20)3)26-21(30)28-17-7-5-4-6-16(17)23/h4-11H,12H2,1-3H3,(H2,26,28,30)