1-[(2-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-octan-3-yl-thiourea

Systemtic Name: 1-[(2-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-(1-ethylhexyl)-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[(2-chlorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(2-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 1-(2-chlorobenzyl)-3-(1-ethylhexyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C22H33ClN4S MolecularWeight: 421.04222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1C=CN=C1)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1C=CN=C1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C22H33ClN4S/c1-3-5-6-11-20(4-2)25-22(28)27(15-9-14-26-16-13-24-18-26)17-19-10-7-8-12-21(19)23/h7-8,10,12-13,16,18,20H,3-6,9,11,14-15,17H2,1-2H3,(H,25,28)