(2S)-N-(3-carbamothioylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-carbamothioylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-carbamothioylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-carbamothioylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-carbamothioylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-(3-thiocarbamoylphenyl)propionamide Formula: C14H19N4O2S+ MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H18N4O2S/c1-9(18-6-5-16-12(19)8-18)14(20)17-11-4-2-3-10(7-11)13(15)21/h2-4,7,9H,5-6,8H2,1H3,(H2,15,21)(H,16,19)(H,17,20)/p+1/t9-/m0/s1