N-[1-(4-fluorophenyl)ethyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C19H24FN3OS MolecularWeight: 361.476763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H24FN3OS/c1-15(16-5-7-17(20)8-6-16)21-19(25)23-10-3-9-22(11-12-23)14-18-4-2-13-24-18/h2,4-8,13,15H,3,9-12,14H2,1H3,(H,21,25)