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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C(=S)N

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C16H23N3OS/c17-16(21)13-7-3-4-8-14(13)18-15(20)9-12-19-10-5-1-2-6-11-19/h3-4,7-8H,1-2,5-6,9-12H2,(H2,17,21)(H,18,20)/p+1