3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]butyramide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C[NH+]2CCOCC2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C[NH+]2CCOCC2

InChI

InChI=1S/C17H25N3O2S/c1-13(2)11-16(21)19-17(23)18-15-5-3-14(4-6-15)12-20-7-9-22-10-8-20/h3-6,13H,7-12H2,1-2H3,(H2,18,19,21,23)/p+1