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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-oxidanylidene-2-[2-oxidanylidene-2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]carbothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]piperazine-1-carbothioyl]amino]pentanoate CAS Name: 5-oxo-5-[[[3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]piperazine-1-carbothioyl]amino]pentanoate Traditional Name: 5-keto-5-[[3-keto-2-[2-keto-2-(2-phenoxyethoxy)ethyl]piperazine-1-carbothioyl]amino]valeric acid 3-phenylpropyl ester Formula: C29H35N3O7S MolecularWeight: 569.6691

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O7S/c33-25(14-7-15-26(34)38-18-8-11-22-9-3-1-4-10-22)31-29(40)32-17-16-30-28(36)24(32)21-27(35)39-20-19-37-23-12-5-2-6-13-23/h1-6,9-10,12-13,24H,7-8,11,14-21H2,(H,30,36)(H,31,33,40)