6-fluoranyl-3-(4-phenethylpiperazin-1-yl)thiochromen-4-one

Systemtic Name: 6-fluoranyl-3-(4-phenethylpiperazin-1-yl)thiochromen-4-one Openeye Name: 6-fluoro-3-(4-phenethylpiperazin-1-yl)thiochromen-4-one CAS Name: 6-fluoro-3-(4-phenethyl-1-piperazinyl)-1-benzothiopyran-4-one IUPAC Name: 6-fluoro-3-(4-phenethylpiperazin-1-yl)thiochromen-4-one Traditional Name: 6-fluoro-3-(4-phenethylpiperazino)thiochromen-4-one Formula: C21H21FN2OS MolecularWeight: 368.467643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C21H21FN2OS/c22-17-6-7-20-18(14-17)21(25)19(15-26-20)24-12-10-23(11-13-24)9-8-16-4-2-1-3-5-16/h1-7,14-15H,8-13H2