ethyl 4-[(4-ethylpiperazin-4-ium-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-ethylpiperazin-4-ium-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-ethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C16H24N3O2S+ MolecularWeight: 322.44566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C16H23N3O2S/c1-3-18-9-11-19(12-10-18)16(22)17-14-7-5-13(6-8-14)15(20)21-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,22)/p+1