3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea Openeye Name: 3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(p-tolylmethyl)thiourea CAS Name: 3-(2,6-diethylphenyl)-1-[3-(1-imidazolyl)propyl]-1-[(4-methylphenyl)methyl]thiourea IUPAC Name: 3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea Traditional Name: 3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-methylbenzyl)thiourea Formula: C25H32N4S MolecularWeight: 420.61338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4S/c1-4-22-8-6-9-23(5-2)24(22)27-25(30)29(16-7-15-28-17-14-26-19-28)18-21-12-10-20(3)11-13-21/h6,8-14,17,19H,4-5,7,15-16,18H2,1-3H3,(H,27,30)