phenethyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenethyloxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

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