3-phenylpropyl 5-oxidanylidene-5-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(tetrahydrofurfuryloxy)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)COC2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5S/c29-24(11-4-12-25(30)32-18-5-9-20-7-2-1-3-8-20)28-26(34)27-21-13-15-22(16-14-21)33-19-23-10-6-17-31-23/h1-3,7-8,13-16,23H,4-6,9-12,17-19H2,(H2,27,28,29,34)