N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-methyl-1,4-diazepane-1-carbothioamide Formula: C13H17ClFN3S MolecularWeight: 301.810583

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CN1CCCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H17ClFN3S/c1-17-5-2-6-18(8-7-17)13(19)16-10-3-4-12(15)11(14)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19)