N1,N4-bis(3-chloranyl-4-fluoranyl-phenyl)-1,4-diazepane-1,4-dicarbothioamide

Systemtic Name: N1,N4-bis(3-chloranyl-4-fluoranyl-phenyl)-1,4-diazepane-1,4-dicarbothioamide Openeye Name: N1,N4-bis(3-chloro-4-fluoro-phenyl)-1,4-diazepane-1,4-dicarbothioamide CAS Name: N1,N4-bis(3-chloro-4-fluorophenyl)-1,4-diazepane-1,4-dicarbothioamide IUPAC Name: 1-N,4-N-bis(3-chloro-4-fluorophenyl)-1,4-diazepane-1,4-dicarbothioamide Traditional Name: N,N'-bis(3-chloro-4-fluoro-phenyl)-1,4-diazepane-1,4-dicarbothioamide Formula: C19H18Cl2F2N4S2 MolecularWeight: 475.405826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H18Cl2F2N4S2/c20-14-10-12(2-4-16(14)22)24-18(28)26-6-1-7-27(9-8-26)19(29)25-13-3-5-17(23)15(21)11-13/h2-5,10-11H,1,6-9H2,(H,24,28)(H,25,29)