ethyl 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2,3-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=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

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