(2S)-2-(azepan-1-ium-1-yl)-N-(2-carbamothioylphenyl)propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-carbamothioylphenyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-carbamothioylphenyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(2-carbamothioylphenyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-carbamothioylphenyl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-thiocarbamoylphenyl)propionamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=S)N)[NH+]2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=S)N)[NH+]2CCCCCC2

InChI

InChI=1S/C16H23N3OS/c1-12(19-10-6-2-3-7-11-19)16(20)18-14-9-5-4-8-13(14)15(17)21/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t12-/m0/s1