3-(3-chloranyl-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-[3-(1-imidazolyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea Formula: C20H22ClN5S MolecularWeight: 399.94018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5S/c1-16-3-4-18(13-19(16)21)24-20(27)26(14-17-5-7-22-8-6-17)11-2-10-25-12-9-23-15-25/h3-9,12-13,15H,2,10-11,14H2,1H3,(H,24,27)