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

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-1-(2-pyridylmethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2-methoxy-5-methylphenyl)-1-(2-pyridinylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2-methoxy-5-methylphenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-methoxy-5-methyl-phenyl)-1-(2-pyridylmethyl)-1-(3-pyridylmethyl)thiourea Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C21H22N4OS/c1-16-8-9-20(26-2)19(12-16)24-21(27)25(14-17-6-5-10-22-13-17)15-18-7-3-4-11-23-18/h3-13H,14-15H2,1-2H3,(H,24,27)