1-(3-chlorophenyl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]urea Openeye Name: 1-(3-chlorophenyl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]urea CAS Name: 1-(3-chlorophenyl)-3-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]urea Traditional Name: 1-(3-chlorophenyl)-3-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]urea Formula: C21H19ClN6OS MolecularWeight: 438.93316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN6OS/c1-13-8-9-23-21(24-13)30-12-19-27-17-11-16(6-7-18(17)28(19)2)26-20(29)25-15-5-3-4-14(22)10-15/h3-11H,12H2,1-2H3,(H2,25,26,29)