2-(azocan-1-ium-1-yl)-N-(2-carbamothioylphenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(2-carbamothioylphenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(2-carbamothioylphenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-(2-carbamothioylphenyl)acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(2-carbamothioylphenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(2-thiocarbamoylphenyl)acetamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2C(=S)N

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C16H23N3OS/c17-16(21)13-8-4-5-9-14(13)18-15(20)12-19-10-6-2-1-3-7-11-19/h4-5,8-9H,1-3,6-7,10-12H2,(H2,17,21)(H,18,20)/p+1