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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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