3-phenylpropyl 5-oxidanylidene-5-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(3-phenylpropoxy)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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