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

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-3-[(4-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(3-imidazol-1-ylpropyl)-3-(p-tolylmethyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-[3-(1-imidazolyl)propyl]-3-[(4-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-3-[(4-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methylbenzyl)-1-(4-pyridylmethyl)thiourea Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N(CCCN2C=CN=C2)CC3=CC=NC=C3

InChI

InChI=1S/C21H25N5S/c1-18-3-5-19(6-4-18)15-24-21(27)26(16-20-7-9-22-10-8-20)13-2-12-25-14-11-23-17-25/h3-11,14,17H,2,12-13,15-16H2,1H3,(H,24,27)