3-(2-chloranyl-5-methoxy-phenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-methoxy-phenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(2-chloro-5-methoxy-phenyl)-1-(p-tolylmethyl)-1-(2-pyridylmethyl)thiourea CAS Name: 3-(2-chloro-5-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-(2-chloro-5-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(2-chloro-5-methoxy-phenyl)-1-(4-methylbenzyl)-1-(2-pyridylmethyl)thiourea Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=C(C=CC(=C3)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=C(C=CC(=C3)OC)Cl

InChI

InChI=1S/C22H22ClN3OS/c1-16-6-8-17(9-7-16)14-26(15-18-5-3-4-12-24-18)22(28)25-21-13-19(27-2)10-11-20(21)23/h3-13H,14-15H2,1-2H3,(H,25,28)