3-phenylpropyl 4-oxidanylidene-4-[[(2-propoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[(2-propoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[(2-propoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[(2-propoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(2-propoxybenzoyl)amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O5S/c1-2-16-31-20-13-7-6-12-19(20)23(30)26-27-24(33)25-21(28)14-15-22(29)32-17-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13H,2,8,11,14-17H2,1H3,(H,26,30)(H2,25,27,28,33)