N-(2-bromophenyl)-2-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)ethanamide

Systemtic Name: N-(2-bromophenyl)-2-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)ethanamide Openeye Name: N-(2-bromophenyl)-2-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)acetamide CAS Name: N-(2-bromophenyl)-2-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-(2-bromophenyl)-2-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)acetamide Traditional Name: N-(2-bromophenyl)-2-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)acetamide Formula: C16H24BrN4O2S+ MolecularWeight: 416.35636

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NCC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NCC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C16H23BrN4O2S/c17-13-4-1-2-5-14(13)20-15(22)12-19-16(24)18-6-3-7-21-8-10-23-11-9-21/h1-2,4-5H,3,6-12H2,(H,20,22)(H2,18,19,24)/p+1