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

Systemtic Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-pentyl-thiourea Openeye Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-pentyl-thiourea CAS Name: 1-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]-3-pentylthiourea IUPAC Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]-3-pentylthiourea Traditional Name: 1-amyl-3-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]thiourea Formula: C21H28N6S2 MolecularWeight: 428.61722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6S2/c1-5-6-7-10-22-20(28)25-16-8-9-18-17(12-16)26-19(27(18)4)13-29-21-23-14(2)11-15(3)24-21/h8-9,11-12H,5-7,10,13H2,1-4H3,(H2,22,25,28)