1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea Openeye Name: 1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)-3-(2,4,6-trimethylphenyl)thiourea CAS Name: 1-[3-(1-imidazolyl)propyl]-1-(3-pyridinylmethyl)-3-(2,4,6-trimethylphenyl)thiourea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-mesityl-1-(3-pyridylmethyl)thiourea Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S/c1-17-12-18(2)21(19(3)13-17)25-22(28)27(15-20-6-4-7-23-14-20)10-5-9-26-11-8-24-16-26/h4,6-8,11-14,16H,5,9-10,15H2,1-3H3,(H,25,28)