ethyl N-[[2-(2-piperidin-1-ylethanoylamino)phenyl]carbamothioyl]carbamate hydrochloride

Systemtic Name: ethyl N-[[2-(2-piperidin-1-ylethanoylamino)phenyl]carbamothioyl]carbamate hydrochloride Openeye Name: ethyl N-[[2-[[2-(1-piperidyl)acetyl]amino]phenyl]carbamothioyl]carbamate hydrochloride CAS Name: N-[[2-[[1-oxo-2-(1-piperidinyl)ethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid ethyl ester hydrochloride IUPAC Name: ethyl N-[[2-[(2-piperidin-1-ylacetyl)amino]phenyl]carbamothioyl]carbamate hydrochloride Traditional Name: N-[[2-[(2-piperidinoacetyl)amino]phenyl]thiocarbamoyl]carbamic acid ethyl ester hydrochloride Formula: C17H25ClN4O3S MolecularWeight: 400.9234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=CC=CC=C1NC(=O)CN2CCCCC2.Cl

Isomeric SMILES

CCOC(=O)NC(=S)NC1=CC=CC=C1NC(=O)CN2CCCCC2.Cl

InChI

InChI=1S/C17H24N4O3S.ClH/c1-2-24-17(23)20-16(25)19-14-9-5-4-8-13(14)18-15(22)12-21-10-6-3-7-11-21;/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,22)(H2,19,20,23,25);1H