3-phenylpropyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[2-(2-isopropoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-(2-oxo-2-propan-2-yloxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-propan-2-yloxyethyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[2-(2-isopropoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O6S/c1-16(2)32-21(29)15-18-22(30)24-12-13-26(18)23(33)25-19(27)10-11-20(28)31-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,24,30)(H,25,27,33)