ethyl 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 2-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(2,5-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(2,5-dimethylphenyl)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=C1NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H27N3O2S/c1-4-27-21(26)18-7-5-6-8-19(18)23-22(28)25-13-11-24(12-14-25)20-15-16(2)9-10-17(20)3/h5-10,15H,4,11-14H2,1-3H3,(H,23,28)