ethyl 4-[[4-(4-methylpiperidin-1-yl)carbonylpiperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(4-methylpiperidin-1-yl)carbonylpiperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[(4-methyl-1-piperidinyl)-oxomethyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C22H31N3O3S/c1-3-28-21(27)18-4-6-19(7-5-18)23-22(29)25-14-10-17(11-15-25)20(26)24-12-8-16(2)9-13-24/h4-7,16-17H,3,8-15H2,1-2H3,(H,23,29)