2-(2-cyanophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]benzamide Formula: C22H21N4O2S2+ MolecularWeight: 437.55774

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C22H20N4O2S2/c23-13-16-5-1-3-7-19(16)30-20-8-4-2-6-18(20)21(27)25-22-24-17(15-29-22)14-26-9-11-28-12-10-26/h1-8,15H,9-12,14H2,(H,24,25,27)/p+1