3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(3-pyridylmethyl)thiourea Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3

InChI

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