N-(2-fluorophenyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-fluorophenyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-fluorophenyl)-4-(4-propylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-fluorophenyl)-4-(4-propylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-fluorophenyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H24FN3O2S2 MolecularWeight: 421.551863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H24FN3O2S2/c1-2-5-16-8-10-17(11-9-16)28(25,26)24-14-12-23(13-15-24)20(27)22-19-7-4-3-6-18(19)21/h3-4,6-11H,2,5,12-15H2,1H3,(H,22,27)