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

Systemtic Name: 3-bromanyl-N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]benzamide Openeye Name: 3-bromo-N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]benzamide CAS Name: 3-bromo-N-[1-[[(2-bromoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]benzamide IUPAC Name: 3-bromo-N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]benzamide Traditional Name: 3-bromo-N-[1-[(2-bromophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]benzamide Formula: C16H12Br2Cl3N3OS MolecularWeight: 560.51798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Br)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Br)Br

InChI

InChI=1S/C16H12Br2Cl3N3OS/c17-10-5-3-4-9(8-10)13(25)23-14(16(19,20)21)24-15(26)22-12-7-2-1-6-11(12)18/h1-8,14H,(H,23,25)(H2,22,24,26)