2,4-bis(chloranyl)-N-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]carbamothioyl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]carbamothioyl]benzamide Openeye Name: 2,4-dichloro-N-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]carbamothioyl]benzamide CAS Name: 2,4-dichloro-N-[[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dichloro-N-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]carbamothioyl]benzamide Traditional Name: 2,4-dichloro-N-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thiocarbamoyl]benzamide Formula: C18H20Cl2N3O2S2+ MolecularWeight: 445.4063

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CS3

InChI

InChI=1S/C18H19Cl2N3O2S2/c19-12-3-4-13(14(20)10-12)17(24)22-18(26)21-11-15(16-2-1-9-27-16)23-5-7-25-8-6-23/h1-4,9-10,15H,5-8,11H2,(H2,21,22,24,26)/p+1/t15-/m0/s1