4-ethoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H25N3O3S/c1-2-27-19-9-5-17(6-10-19)20(25)23-21(28)22-18-7-3-16(4-8-18)15-24-11-13-26-14-12-24/h3-10H,2,11-15H2,1H3,(H2,22,23,25,28)/p+1