N-(2-fluorophenyl)-4-[2-[(2-fluorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-fluorophenyl)-4-[2-[(2-fluorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-4-[2-[(2-fluorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide CAS Name: 4-[2-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]ethyl]-N-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-fluorophenyl)-4-[2-[(2-fluorophenyl)carbamothioylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-(2-fluorophenyl)-4-[2-[(2-fluorophenyl)thiocarbamoylamino]ethyl]piperazine-1-carbothioamide Formula: C20H23F2N5S2 MolecularWeight: 435.556926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=S)NC2=CC=CC=C2F)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CN(CCN1CCNC(=S)NC2=CC=CC=C2F)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H23F2N5S2/c21-15-5-1-3-7-17(15)24-19(28)23-9-10-26-11-13-27(14-12-26)20(29)25-18-8-4-2-6-16(18)22/h1-8H,9-14H2,(H,25,29)(H2,23,24,28)