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

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]butanamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]butyramide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-2-3-15(20)18-16(22)17-14-6-4-13(5-7-14)12-19-8-10-21-11-9-19/h4-7H,2-3,8-12H2,1H3,(H2,17,18,20,22)/p+1