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

Systemtic Name: ethyl 4-[(4-phenethylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-phenethylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-phenethyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-phenethylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-phenethylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-27-21(26)19-8-10-20(11-9-19)23-22(28)25-16-14-24(15-17-25)13-12-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,28)