2-methoxy-3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methoxy-3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-methoxy-3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-methoxy-3-methyl-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-methoxy-3-methyl-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:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

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