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

Systemtic Name: propyl 4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[4-(1-piperidylsulfonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-piperidinosulfonylphenyl)thiocarbamoylamino]butyric acid propyl ester Formula: C19H27N3O5S2 MolecularWeight: 441.56478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S2/c1-2-14-27-18(24)11-10-17(23)21-19(28)20-15-6-8-16(9-7-15)29(25,26)22-12-4-3-5-13-22/h6-9H,2-5,10-14H2,1H3,(H2,20,21,23,28)