dimethyl 5-[(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)carbothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)carbothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-carbamoyl-4-(1-piperidyl)piperidine-1-carbothioyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-carbamoyl-4-(1-piperidinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-carbamoyl-4-piperidino-piperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H30N4O5S/c1-30-18(27)15-12-16(19(28)31-2)14-17(13-15)24-21(32)25-10-6-22(7-11-25,20(23)29)26-8-4-3-5-9-26/h12-14H,3-11H2,1-2H3,(H2,23,29)(H,24,32)