ethyl 4-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(2-thioxo-1H-pyridine-3-carbonyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-4-[[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]amino]butyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[(2-thioxo-1H-pyridine-3-carbonyl)amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC=CNC2=S

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC=CNC2=S

InChI

InChI=1S/C18H26N4O4S/c1-2-26-18(25)22-11-7-13(8-12-22)21-15(23)6-4-9-19-16(24)14-5-3-10-20-17(14)27/h3,5,10,13H,2,4,6-9,11-12H2,1H3,(H,19,24)(H,20,27)(H,21,23)