N-(4-butylphenyl)-4-(2-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(2-fluorophenyl)piperazine-1-carbothioamide Formula: C21H26FN3S MolecularWeight: 371.514643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3S/c1-2-3-6-17-9-11-18(12-10-17)23-21(26)25-15-13-24(14-16-25)20-8-5-4-7-19(20)22/h4-5,7-12H,2-3,6,13-16H2,1H3,(H,23,26)