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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CCC(=O)NC2=CC=CC=C2C(=S)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CCC(=O)NC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C14H18N4O2S/c15-14(21)10-3-1-2-4-11(10)17-12(19)5-7-18-8-6-16-13(20)9-18/h1-4H,5-9H2,(H2,15,21)(H,16,20)(H,17,19)/p+1