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

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(5-chloro-2-methoxyphenyl)-1-[3-(1-imidazolyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea Formula: C20H22ClN5OS MolecularWeight: 415.93958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2C=CN=C2)CC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2C=CN=C2)CC3=CN=CC=C3

InChI

InChI=1S/C20H22ClN5OS/c1-27-19-6-5-17(21)12-18(19)24-20(28)26(14-16-4-2-7-22-13-16)10-3-9-25-11-8-23-15-25/h2,4-8,11-13,15H,3,9-10,14H2,1H3,(H,24,28)