methyl 2-[(4-piperidin-1-ylpiperidin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 2-[(4-piperidin-1-ylpiperidin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(1-piperidyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(1-piperidinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-piperidin-1-ylpiperidine-1-carbothioyl)amino]benzoate Traditional Name: 2-[(4-piperidinopiperidine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)N3CCCCC3

InChI

InChI=1S/C19H27N3O2S/c1-24-18(23)16-7-3-4-8-17(16)20-19(25)22-13-9-15(10-14-22)21-11-5-2-6-12-21/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,25)