4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-4-indan-5-ylsulfonyl-piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-fluorophenyl)-4-indan-5-ylsulfonyl-piperazine-1-carbothioamide Formula: C20H22FN3O2S2 MolecularWeight: 419.535983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=S)NC4=CC=CC=C4F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=S)NC4=CC=CC=C4F

InChI

InChI=1S/C20H22FN3O2S2/c21-18-6-1-2-7-19(18)22-20(27)23-10-12-24(13-11-23)28(25,26)17-9-8-15-4-3-5-16(15)14-17/h1-2,6-9,14H,3-5,10-13H2,(H,22,27)