ethyl 1-[(3-propoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-propoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-propoxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-propoxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-propoxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C19H26N2O4S/c1-3-12-25-16-7-5-6-15(13-16)17(22)20-19(26)21-10-8-14(9-11-21)18(23)24-4-2/h5-7,13-14H,3-4,8-12H2,1-2H3,(H,20,22,26)