N-[2,2,2-tris(bromanyl)-1-[(2-methoxyphenyl)carbamothioylamino]ethyl]benzamide

Systemtic Name: N-[2,2,2-tris(bromanyl)-1-[(2-methoxyphenyl)carbamothioylamino]ethyl]benzamide Openeye Name: N-[2,2,2-tribromo-1-[(2-methoxyphenyl)carbamothioylamino]ethyl]benzamide CAS Name: N-[2,2,2-tribromo-1-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: N-[2,2,2-tribromo-1-[(2-methoxyphenyl)carbamothioylamino]ethyl]benzamide Traditional Name: N-[2,2,2-tribromo-1-[(2-methoxyphenyl)thiocarbamoylamino]ethyl]benzamide Formula: C17H16Br3N3O2S MolecularWeight: 566.10484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC(C(Br)(Br)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC(C(Br)(Br)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16Br3N3O2S/c1-25-13-10-6-5-9-12(13)21-16(26)23-15(17(18,19)20)22-14(24)11-7-3-2-4-8-11/h2-10,15H,1H3,(H,22,24)(H2,21,23,26)