1-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)methyl]-1-(4-pyridylmethyl)thiourea CAS Name: 1-[3-(1-imidazolyl)propyl]-3-[(4-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-p-anisyl-1-(4-pyridylmethyl)thiourea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-27-20-5-3-18(4-6-20)15-24-21(28)26(16-19-7-9-22-10-8-19)13-2-12-25-14-11-23-17-25/h3-11,14,17H,2,12-13,15-16H2,1H3,(H,24,28)