(2S)-N-(3-carbamothioylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-carbamothioylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-carbamothioylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-carbamothioylphenyl)-2-(4-methyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-carbamothioylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-N-(3-thiocarbamoylphenyl)propionamide Formula: C15H23N4OS+ MolecularWeight: 307.43432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCN(CC2)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=S)N)[NH+]2CCN(CC2)C

InChI

InChI=1S/C15H22N4OS/c1-11(19-8-6-18(2)7-9-19)15(20)17-13-5-3-4-12(10-13)14(16)21/h3-5,10-11H,6-9H2,1-2H3,(H2,16,21)(H,17,20)/p+1/t11-/m0/s1