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

Systemtic Name: ethyl 2-[[4-(4-pyridin-4-ylcarbonylphenyl)piperazin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[4-[4-(pyridine-4-carbonyl)phenyl]piperazine-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-[4-[oxo(pyridin-4-yl)methyl]phenyl]-1-piperazinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[4-(pyridine-4-carbonyl)phenyl]piperazine-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-(4-isonicotinoylphenyl)piperazine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-2-28-19(26)15-23-21(29)25-13-11-24(12-14-25)18-5-3-16(4-6-18)20(27)17-7-9-22-10-8-17/h3-10H,2,11-15H2,1H3,(H,23,29)