3-(3,5-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(3,5-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(3,5-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(3,5-dimethylphenyl)-1-[3-(1-imidazolyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(3,5-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(3,5-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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