ethyl 1-[[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[4-(2-methoxy-2-oxo-ethyl)phenyl]carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[[4-(2-methoxy-2-oxoethyl)anilino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[[4-(2-keto-2-methoxy-ethyl)phenyl]thiocarbamoyl]nipecotic acid ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C18H24N2O4S/c1-3-24-17(22)14-5-4-10-20(12-14)18(25)19-15-8-6-13(7-9-15)11-16(21)23-2/h6-9,14H,3-5,10-12H2,1-2H3,(H,19,25)