dimethyl 2-[(4-piperidin-1-ylpiperidin-1-yl)carbothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-piperidin-1-ylpiperidin-1-yl)carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-(1-piperidyl)piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[4-(1-piperidinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-piperidin-1-ylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-piperidinopiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-27-19(25)15-6-7-17(20(26)28-2)18(14-15)22-21(29)24-12-8-16(9-13-24)23-10-4-3-5-11-23/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,22,29)