N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]tetradecanamide

Systemtic Name: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]tetradecanamide Openeye Name: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]tetradecanamide CAS Name: N-[1-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]tetradecanamide IUPAC Name: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]tetradecanamide Traditional Name: N-[1-[(3-bromophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]myristamide Formula: C23H35BrCl3N3OS MolecularWeight: 587.8715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)Br

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C23H35BrCl3N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-16-20(31)29-21(23(25,26)27)30-22(32)28-19-15-13-14-18(24)17-19/h13-15,17,21H,2-12,16H2,1H3,(H,29,31)(H2,28,30,32)