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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3-carbamothioylphenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3-carbamothioylphenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3-carbamothioylphenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-carbamothioylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-thiocarbamoylphenyl)acetamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS/c16-15(20)12-6-5-7-13(10-12)17-14(19)11-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,11H2,(H2,16,20)(H,17,19)/p+1