ethyl 4-[[4-[(3-bromanylthiophen-2-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(3-bromanylthiophen-2-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(3-bromothiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[(3-bromo-2-thiophenyl)-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3-bromothiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(3-bromothiophene-2-carbonyl)amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H27BrN4O4S MolecularWeight: 487.41108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=C(C=CS3)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=C(C=CS3)Br

InChI

InChI=1S/C19H27BrN4O4S/c1-2-28-18(27)24-10-3-13(4-11-24)22-17(26)19(6-8-21-9-7-19)23-16(25)15-14(20)5-12-29-15/h5,12-13,21H,2-4,6-11H2,1H3,(H,22,26)(H,23,25)