3-(3-chloranyl-4-fluoranyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Formula: C21H26ClFN2O2S MolecularWeight: 424.959743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=CC(=C(C=C2)F)Cl)OCC

Isomeric SMILES

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=CC(=C(C=C2)F)Cl)OCC

InChI

InChI=1S/C21H26ClFN2O2S/c1-3-26-20(27-4-2)15-25(13-12-16-8-6-5-7-9-16)21(28)24-17-10-11-19(23)18(22)14-17/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,24,28)