methyl 2-[4-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3

InChI

InChI=1S/C19H25N3O4S/c1-25-17(23)13-14-4-6-15(7-5-14)20-19(27)22-10-8-21(9-11-22)18(24)16-3-2-12-26-16/h4-7,16H,2-3,8-13H2,1H3,(H,20,27)