N-cyclopropyl-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(3-methoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(3-methoxyphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H25N4O2S+ MolecularWeight: 349.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C17H24N4O2S/c1-23-15-4-2-3-14(11-15)19-17(24)21-9-7-20(8-10-21)12-16(22)18-13-5-6-13/h2-4,11,13H,5-10,12H2,1H3,(H,18,22)(H,19,24)/p+1