N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C20H23N4O5S+ MolecularWeight: 431.48542

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c25-19(14-29-18-7-5-17(6-8-18)24(26)27)22-20(30)21-16-3-1-15(2-4-16)13-23-9-11-28-12-10-23/h1-8H,9-14H2,(H2,21,22,25,30)/p+1