ethyl 4-oxidanylidene-4-[(3-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[(3-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[[3-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[3-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N2CCCCC2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N2CCCCC2

InChI

InChI=1S/C19H25N3O4S/c1-2-26-17(24)10-9-16(23)21-19(27)20-15-8-6-7-14(13-15)18(25)22-11-4-3-5-12-22/h6-8,13H,2-5,9-12H2,1H3,(H2,20,21,23,27)