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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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