1-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-[(2-imidazol-1-ylpyridin-3-yl)methyl]urea

Systemtic Name: 1-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-[(2-imidazol-1-ylpyridin-3-yl)methyl]urea Openeye Name: 1-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-[(2-imidazol-1-yl-3-pyridyl)methyl]urea CAS Name: 1-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-[[2-(1-imidazolyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-[(2-imidazol-1-ylpyridin-3-yl)methyl]urea Traditional Name: 1-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-[(2-imidazol-1-yl-3-pyridyl)methyl]urea Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)NCC2=C(N=CC=C2)N3C=CN=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)NCC2=C(N=CC=C2)N3C=CN=C3)C

InChI

InChI=1S/C20H23N5OS/c1-15-5-6-18(12-16(15)2)27-11-9-23-20(26)24-13-17-4-3-7-22-19(17)25-10-8-21-14-25/h3-8,10,12,14H,9,11,13H2,1-2H3,(H2,23,24,26)