ethyl 3-[[4-(1-phenylethyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(1-phenylethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(1-phenylethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(1-phenylethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1-phenylethyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(1-phenylethyl)piperazine-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(=CC=C1)NC(=S)N2CCN(CC2)C(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-3-27-21(26)19-10-7-11-20(16-19)23-22(28)25-14-12-24(13-15-25)17(2)18-8-5-4-6-9-18/h4-11,16-17H,3,12-15H2,1-2H3,(H,23,28)