1-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]-3-pyrazin-2-yl-urea

Systemtic Name: 1-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]-3-pyrazin-2-yl-urea Openeye Name: 1-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethyl]-3-pyrazin-2-yl-urea CAS Name: 1-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethyl]-3-(2-pyrazinyl)urea IUPAC Name: 1-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]-3-pyrazin-2-ylurea Traditional Name: 1-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethyl]-3-pyrazin-2-yl-urea Formula: C22H22N6OS2 MolecularWeight: 450.57968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCNC(=O)NC2=NC=CN=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCNC(=O)NC2=NC=CN=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N6OS2/c1-15-16(14-31-22-26-17-6-2-3-7-18(17)27-22)5-4-8-19(15)30-12-11-25-21(29)28-20-13-23-9-10-24-20/h2-10,13H,11-12,14H2,1H3,(H,26,27)(H2,24,25,28,29)