3-phenylpropyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-butyramidophenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O4S/c1-2-8-21(28)25-19-12-6-13-20(17-19)26-24(32)27-22(29)14-15-23(30)31-16-7-11-18-9-4-3-5-10-18/h3-6,9-10,12-13,17H,2,7-8,11,14-16H2,1H3,(H,25,28)(H2,26,27,29,32)