1-[[2,6-bis(chloranyl)phenyl]methyl]-3-cyclooctyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methyl]-3-cyclooctyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-cyclooctyl-1-[(2,6-dichlorophenyl)methyl]thiourea CAS Name: 3-cyclooctyl-1-[(2,6-dichlorophenyl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-cyclooctyl-1-[(2,6-dichlorophenyl)methyl]thiourea Traditional Name: 1-benzyl-3-cyclooctyl-1-(2,6-dichlorobenzyl)thiourea Formula: C23H28Cl2N2S MolecularWeight: 435.45282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2=CC=CC=C2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CC=CC=C2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C23H28Cl2N2S/c24-21-14-9-15-22(25)20(21)17-27(16-18-10-5-4-6-11-18)23(28)26-19-12-7-2-1-3-8-13-19/h4-6,9-11,14-15,19H,1-3,7-8,12-13,16-17H2,(H,26,28)