2-methoxyethyl 4-oxidanylidene-4-[(2-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(2-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[2-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[2-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCCC2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCCC2

InChI

InChI=1S/C20H27N3O5S/c1-27-13-14-28-18(25)10-9-17(24)22-20(29)21-16-8-4-3-7-15(16)19(26)23-11-5-2-6-12-23/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,21,22,24,29)