3-(2-chloranyl-6-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(2-chloranyl-6-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(2-chloro-6-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(2-chloro-6-methylphenyl)-1-[3-(1-imidazolyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2-chloro-6-methylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(2-chloro-6-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea Formula: C20H22ClN5S MolecularWeight: 399.94018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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