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

Systemtic Name: propyl 4-oxidanylidene-4-[(3-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-oxo-4-[[3-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-2-13-27-18(25)10-9-17(24)22-20(28)21-16-8-6-7-15(14-16)19(26)23-11-4-3-5-12-23/h6-8,14H,2-5,9-13H2,1H3,(H2,21,22,24,28)