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

Systemtic Name: ethyl 4-[(4-propylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-propylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-propyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-propylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-propylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C17H25N3O2S/c1-3-9-19-10-12-20(13-11-19)17(23)18-15-7-5-14(6-8-15)16(21)22-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,23)