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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NC2=CC=CC=C2C(=S)N

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)NC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C15H22N4OS/c1-18-8-10-19(11-9-18)7-6-14(20)17-13-5-3-2-4-12(13)15(16)21/h2-5H,6-11H2,1H3,(H2,16,21)(H,17,20)/p+1