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

Systemtic Name: 1-butan-2-yl-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]thiourea Openeye Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-sec-butyl-thiourea CAS Name: 1-butan-2-yl-3-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]thiourea IUPAC Name: 1-butan-2-yl-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]thiourea Traditional Name: 1-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]-3-sec-butyl-thiourea Formula: C20H26N6S2 MolecularWeight: 414.59064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC1=CC2=C(C=C1)N(C(=N2)CSC3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CCC(C)NC(=S)NC1=CC2=C(C=C1)N(C(=N2)CSC3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C20H26N6S2/c1-6-12(2)21-19(27)24-15-7-8-17-16(10-15)25-18(26(17)5)11-28-20-22-13(3)9-14(4)23-20/h7-10,12H,6,11H2,1-5H3,(H2,21,24,27)