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

Systemtic Name: 3-(4-chloranyl-2-methoxy-phenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(4-chloro-2-methoxy-phenyl)-1-(p-tolylmethyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(4-chloro-2-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(4-chloro-2-methoxy-phenyl)-1-(4-methylbenzyl)-1-(4-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=NC=C2)C(=S)NC3=C(C=C(C=C3)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=NC=C2)C(=S)NC3=C(C=C(C=C3)Cl)OC

InChI

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