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

Systemtic Name: 1-cyclopentyl-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]thiourea Openeye Name: 1-cyclopentyl-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]thiourea CAS Name: 1-cyclopentyl-3-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]thiourea IUPAC Name: 1-cyclopentyl-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]thiourea Traditional Name: 1-cyclopentyl-3-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]thiourea Formula: C21H26N6S2 MolecularWeight: 426.60134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4CCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4CCCC4)C

InChI

InChI=1S/C21H26N6S2/c1-13-10-14(2)23-21(22-13)29-12-19-26-17-11-16(8-9-18(17)27(19)3)25-20(28)24-15-6-4-5-7-15/h8-11,15H,4-7,12H2,1-3H3,(H2,24,25,28)