3-phenylpropyl 5-oxidanylidene-5-[[3-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]carbothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]carbothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carbothioyl]amino]pentanoate CAS Name: 5-oxo-5-[[[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carbothioyl]amino]pentanoate Traditional Name: 5-keto-5-[[3-keto-2-[2-keto-2-(3-phenylpropoxy)ethyl]piperazine-1-carbothioyl]amino]valeric acid 3-phenylpropyl ester Formula: C30H37N3O6S MolecularWeight: 567.69628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C30H37N3O6S/c34-26(16-7-17-27(35)38-20-8-14-23-10-3-1-4-11-23)32-30(40)33-19-18-31-29(37)25(33)22-28(36)39-21-9-15-24-12-5-2-6-13-24/h1-6,10-13,25H,7-9,14-22H2,(H,31,37)(H,32,34,40)