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

Systemtic Name: 2-methoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-methoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-methoxy-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-methoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H23N3O3S/c1-25-18-5-3-2-4-17(18)19(24)22-20(27)21-16-8-6-15(7-9-16)14-23-10-12-26-13-11-23/h2-9H,10-14H2,1H3,(H2,21,22,24,27)/p+1