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

Systemtic Name: methyl 4-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-24-17(23)13-4-6-14(7-5-13)19-18(26)21-10-8-20(9-11-21)16(22)15-3-2-12-25-15/h4-7,15H,2-3,8-12H2,1H3,(H,19,26)