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

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]-3-octyl-thiourea Openeye Name: 1-(3-imidazol-1-ylpropyl)-3-octyl-1-(p-tolylmethyl)thiourea CAS Name: 1-[3-(1-imidazolyl)propyl]-1-[(4-methylphenyl)methyl]-3-octylthiourea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]-3-octylthiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methylbenzyl)-3-octyl-thiourea Formula: C23H36N4S MolecularWeight: 400.62374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCNC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C23H36N4S/c1-3-4-5-6-7-8-14-25-23(28)27(17-9-16-26-18-15-24-20-26)19-22-12-10-21(2)11-13-22/h10-13,15,18,20H,3-9,14,16-17,19H2,1-2H3,(H,25,28)