3-phenylpropyl 4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methyl-3-propionamido-phenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-3-21(28)25-19-12-7-13-20(17(19)2)26-24(32)27-22(29)14-15-23(30)31-16-8-11-18-9-5-4-6-10-18/h4-7,9-10,12-13H,3,8,11,14-16H2,1-2H3,(H,25,28)(H2,26,27,29,32)