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

Systemtic Name: ethyl 4-[(4-ethanoylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-acetylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-acetyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-acetylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C16H21N3O3S/c1-3-22-15(21)13-4-6-14(7-5-13)17-16(23)19-10-8-18(9-11-19)12(2)20/h4-7H,3,8-11H2,1-2H3,(H,17,23)