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

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-carbamothioylphenyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-carbamothioylphenyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(3-carbamothioylphenyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-carbamothioylphenyl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-thiocarbamoylphenyl)propionamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCCCCC2

InChI

InChI=1S/C16H23N3OS/c1-12(19-9-4-2-3-5-10-19)16(20)18-14-8-6-7-13(11-14)15(17)21/h6-8,11-12H,2-5,9-10H2,1H3,(H2,17,21)(H,18,20)/p+1/t12-/m0/s1