3-(2-chloranyl-5-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2-chloro-5-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2-chloro-5-methylphenyl)-1-[3-(1-imidazolyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2-chloro-5-methylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-chloro-5-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea Formula: C20H22ClN5S MolecularWeight: 399.94018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=S)N(CCCN2C=CN=C2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=S)N(CCCN2C=CN=C2)CC3=CN=CC=C3

InChI

InChI=1S/C20H22ClN5S/c1-16-5-6-18(21)19(12-16)24-20(27)26(14-17-4-2-7-22-13-17)10-3-9-25-11-8-23-15-25/h2,4-8,11-13,15H,3,9-10,14H2,1H3,(H,24,27)