1-[(4-bromophenyl)methyl]-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-bromophenyl)methyl]-3-cyclooctyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-bromophenyl)methyl]-3-cyclooctyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-bromophenyl)methyl]-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-bromobenzyl)-3-cyclooctyl-1-(3-pyridylmethyl)thiourea Formula: C22H28BrN3S MolecularWeight: 446.44682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3

InChI

InChI=1S/C22H28BrN3S/c23-20-12-10-18(11-13-20)16-26(17-19-7-6-14-24-15-19)22(27)25-21-8-4-2-1-3-5-9-21/h6-7,10-15,21H,1-5,8-9,16-17H2,(H,25,27)