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

Systemtic Name: 3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2,6-diethylphenyl)-1-[3-(1-imidazolyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(3-pyridylmethyl)thiourea Formula: C23H29N5S MolecularWeight: 407.57486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2C=CN=C2)CC3=CN=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2C=CN=C2)CC3=CN=CC=C3

InChI

InChI=1S/C23H29N5S/c1-3-20-9-5-10-21(4-2)22(20)26-23(29)28(17-19-8-6-11-24-16-19)14-7-13-27-15-12-25-18-27/h5-6,8-12,15-16,18H,3-4,7,13-14,17H2,1-2H3,(H,26,29)