N-[2,2,2-tris(chloranyl)-1-[(4-fluorophenyl)carbamothioylamino]ethyl]heptanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[(4-fluorophenyl)carbamothioylamino]ethyl]heptanamide Openeye Name: N-[2,2,2-trichloro-1-[(4-fluorophenyl)carbamothioylamino]ethyl]heptanamide CAS Name: N-[2,2,2-trichloro-1-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]ethyl]heptanamide IUPAC Name: N-[2,2,2-trichloro-1-[(4-fluorophenyl)carbamothioylamino]ethyl]heptanamide Traditional Name: N-[2,2,2-trichloro-1-[(4-fluorophenyl)thiocarbamoylamino]ethyl]enanthamide Formula: C16H21Cl3FN3OS MolecularWeight: 428.779843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)F

Isomeric SMILES

CCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)F

InChI

InChI=1S/C16H21Cl3FN3OS/c1-2-3-4-5-6-13(24)22-14(16(17,18)19)23-15(25)21-12-9-7-11(20)8-10-12/h7-10,14H,2-6H2,1H3,(H,22,24)(H2,21,23,25)