N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbothioamide Formula: C20H22ClFN3OS+ MolecularWeight: 406.924583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H21ClFN3OS/c21-17-12-16(2-3-18(17)22)23-20(27)25-8-6-24(7-9-25)13-14-1-4-19-15(11-14)5-10-26-19/h1-4,11-12H,5-10,13H2,(H,23,27)/p+1