N-(3-chloranyl-4-fluoranyl-phenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C17H19ClFN3OS MolecularWeight: 367.868663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=CC=CO3

InChI

InChI=1S/C17H19ClFN3OS/c18-15-11-13(4-5-16(15)19)20-17(24)22-7-2-6-21(8-9-22)12-14-3-1-10-23-14/h1,3-5,10-11H,2,6-9,12H2,(H,20,24)