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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[2-(2-benzyloxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[2-(2-benzoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O6S/c31-23(13-14-24(32)35-17-7-12-20-8-3-1-4-9-20)29-27(37)30-16-15-28-26(34)22(30)18-25(33)36-19-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,28,34)(H,29,31,37)