2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C24H24N3O2S2+ MolecularWeight: 450.59626

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C4=CC=CS4

InChI

InChI=1S/C24H23N3O2S2/c25-16-18-6-1-3-8-21(18)31-22-9-4-2-7-19(22)24(28)26-17-20(23-10-5-15-30-23)27-11-13-29-14-12-27/h1-10,15,20H,11-14,17H2,(H,26,28)/p+1/t20-/m0/s1