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

Systemtic Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]thiourea CAS Name: 1-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-methyl-5-benzimidazolyl]-3-prop-2-enylthiourea IUPAC Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-methyl-benzimidazol-5-yl]thiourea Formula: C19H22N6S2 MolecularWeight: 398.54818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6S2/c1-5-8-20-18(26)23-14-6-7-16-15(10-14)24-17(25(16)4)11-27-19-21-12(2)9-13(3)22-19/h5-7,9-10H,1,8,11H2,2-4H3,(H2,20,23,26)