1-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[3-(2-oxo-1-azepanyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[3-(2-ketoazepan-1-yl)propyl]thiourea Formula: C16H21ClFN3OS MolecularWeight: 357.873843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H21ClFN3OS/c17-13-11-12(6-7-14(13)18)20-16(23)19-8-4-10-21-9-3-1-2-5-15(21)22/h6-7,11H,1-5,8-10H2,(H2,19,20,23)