3-phenylpropyl 5-oxidanylidene-5-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[3-(3-phenylpropoxy)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C30H34N2O4S MolecularWeight: 518.66696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C30H34N2O4S/c33-28(19-8-20-29(34)36-22-10-16-25-13-5-2-6-14-25)32-30(37)31-26-17-7-18-27(23-26)35-21-9-15-24-11-3-1-4-12-24/h1-7,11-14,17-18,23H,8-10,15-16,19-22H2,(H2,31,32,33,37)