(2S)-N-(3-carbamothioylphenyl)-2-thiomorpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-(3-carbamothioylphenyl)-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(3-carbamothioylphenyl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(3-carbamothioylphenyl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-carbamothioylphenyl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(3-thiocarbamoylphenyl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C14H20N3OS2+ MolecularWeight: 310.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCSCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCSCC2

InChI

InChI=1S/C14H19N3OS2/c1-10(17-5-7-20-8-6-17)14(18)16-12-4-2-3-11(9-12)13(15)19/h2-4,9-10H,5-8H2,1H3,(H2,15,19)(H,16,18)/p+1/t10-/m0/s1