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

Systemtic Name: ethyl 2-[(4-piperidin-1-ylpiperidin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 2-[[4-(1-piperidyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(1-piperidinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(4-piperidin-1-ylpiperidine-1-carbothioyl)amino]benzoate Traditional Name: 2-[(4-piperidinopiperidine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-2-25-19(24)17-8-4-5-9-18(17)21-20(26)23-14-10-16(11-15-23)22-12-6-3-7-13-22/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3,(H,21,26)