ethyl 2-[[4-(4-thiophen-2-ylcarbonylphenyl)piperazin-1-yl]carbothioylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(4-thiophen-2-ylcarbonylphenyl)piperazin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[4-[4-(thiophene-2-carbonyl)phenyl]piperazine-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-[4-[oxo(thiophen-2-yl)methyl]phenyl]-1-piperazinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[4-(thiophene-2-carbonyl)phenyl]piperazine-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-[4-(2-thenoyl)phenyl]piperazine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CNC(=S)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H23N3O3S2/c1-2-26-18(24)14-21-20(27)23-11-9-22(10-12-23)16-7-5-15(6-8-16)19(25)17-4-3-13-28-17/h3-8,13H,2,9-12,14H2,1H3,(H,21,27)