dimethyl 2-(piperidin-1-ylcarbothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(piperidin-1-ylcarbothioylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(piperidine-1-carbothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[1-piperidinyl(sulfanylidene)methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(piperidine-1-carbothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(piperidine-1-carbothioylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCCC2

InChI

InChI=1S/C16H20N2O4S/c1-21-14(19)11-6-7-12(15(20)22-2)13(10-11)17-16(23)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,23)