3-bromanyl-N-[2,2,2-tris(chloranyl)-1-[(2,5-dimethoxyphenyl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2,2,2-tris(chloranyl)-1-[(2,5-dimethoxyphenyl)carbamothioylamino]ethyl]benzamide Openeye Name: 3-bromo-N-[2,2,2-trichloro-1-[(2,5-dimethoxyphenyl)carbamothioylamino]ethyl]benzamide CAS Name: 3-bromo-N-[2,2,2-trichloro-1-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 3-bromo-N-[2,2,2-trichloro-1-[(2,5-dimethoxyphenyl)carbamothioylamino]ethyl]benzamide Traditional Name: 3-bromo-N-[2,2,2-trichloro-1-[(2,5-dimethoxyphenyl)thiocarbamoylamino]ethyl]benzamide Formula: C18H17BrCl3N3O3S MolecularWeight: 541.67388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C18H17BrCl3N3O3S/c1-27-12-6-7-14(28-2)13(9-12)23-17(29)25-16(18(20,21)22)24-15(26)10-4-3-5-11(19)8-10/h3-9,16H,1-2H3,(H,24,26)(H2,23,25,29)