3-(4-ethanoylphenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(4-ethanoylphenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-acetylphenyl)-1-(2-pyridylmethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-acetylphenyl)-1-(2-pyridinylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-acetylphenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-acetylphenyl)-1-(2-pyridylmethyl)-1-(3-pyridylmethyl)thiourea Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-16(26)18-7-9-19(10-8-18)24-21(27)25(14-17-5-4-11-22-13-17)15-20-6-2-3-12-23-20/h2-13H,14-15H2,1H3,(H,24,27)