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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethoxy)ethyl]piperazin-1-yl]carbothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-oxo-2-[2-oxo-2-(tetrahydrofuran-2-ylmethoxy)ethyl]piperazine-1-carbothioyl]amino]pentanoate CAS Name: 5-oxo-5-[[[3-oxo-2-[2-oxo-2-(2-oxolanylmethoxy)ethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carbothioyl]amino]pentanoate Traditional Name: 5-keto-5-[[3-keto-2-[2-keto-2-(tetrahydrofurfuryloxy)ethyl]piperazine-1-carbothioyl]amino]valeric acid 3-phenylpropyl ester Formula: C26H35N3O7S MolecularWeight: 533.637

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O7S/c30-22(11-4-12-23(31)35-16-5-9-19-7-2-1-3-8-19)28-26(37)29-14-13-27-25(33)21(29)17-24(32)36-18-20-10-6-15-34-20/h1-3,7-8,20-21H,4-6,9-18H2,(H,27,33)(H,28,30,37)