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

Systemtic Name: ethyl 4-[(4-ethylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-ethylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-ethylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCN1CCN(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)