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

Systemtic Name: ethyl 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[(4-o-phenetylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C22H27N3O3S/c1-3-27-20-11-6-5-10-19(20)24-12-14-25(15-13-24)22(29)23-18-9-7-8-17(16-18)21(26)28-4-2/h5-11,16H,3-4,12-15H2,1-2H3,(H,23,29)