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

Systemtic Name: 3-dodecyl-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea Openeye Name: 3-dodecyl-1-(3-imidazol-1-ylpropyl)-1-(p-tolylmethyl)thiourea CAS Name: 3-dodecyl-1-[3-(1-imidazolyl)propyl]-1-[(4-methylphenyl)methyl]thiourea IUPAC Name: 3-dodecyl-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-lauryl-1-(4-methylbenzyl)thiourea Formula: C27H44N4S MolecularWeight: 456.73006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N4S/c1-3-4-5-6-7-8-9-10-11-12-18-29-27(32)31(21-13-20-30-22-19-28-24-30)23-26-16-14-25(2)15-17-26/h14-17,19,22,24H,3-13,18,20-21,23H2,1-2H3,(H,29,32)