1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]-3-octan-3-yl-thiourea

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]-3-octan-3-yl-thiourea Openeye Name: 3-(1-ethylhexyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[3-(1-imidazolyl)propyl]-1-[(4-methoxyphenyl)methyl]-3-octan-3-ylthiourea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]-3-octan-3-ylthiourea Traditional Name: 3-(1-ethylhexyl)-1-(3-imidazol-1-ylpropyl)-1-p-anisyl-thiourea Formula: C23H36N4OS MolecularWeight: 416.62314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H36N4OS/c1-4-6-7-9-21(5-2)25-23(29)27(16-8-15-26-17-14-24-19-26)18-20-10-12-22(28-3)13-11-20/h10-14,17,19,21H,4-9,15-16,18H2,1-3H3,(H,25,29)