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

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-1-(pyridin-3-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-1-(3-pyridylmethyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(2-methoxy-5-methylphenyl)-1-(3-pyridinylmethyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(2-methoxy-5-methyl-phenyl)-1-(3-pyridylmethyl)-1-(4-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=CC=NC=C2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CC=NC=C2)CC3=CN=CC=C3

InChI

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