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

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(3-carbamothioylphenyl)propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(3-carbamothioylphenyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-(3-carbamothioylphenyl)propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(3-carbamothioylphenyl)propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-(3-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(=C2)C(=S)N

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C16H23N3OS/c17-16(21)13-6-5-7-14(12-13)18-15(20)8-11-19-9-3-1-2-4-10-19/h5-7,12H,1-4,8-11H2,(H2,17,21)(H,18,20)/p+1