2-methoxyethyl 4-oxidanylidene-4-[[3-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[3-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]carbothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-keto-4-[[3-keto-2-[2-keto-2-(3-phenylpropoxy)ethyl]piperazine-1-carbothioyl]amino]butyric acid 2-methoxyethyl ester Formula: C23H31N3O7S MolecularWeight: 493.57314

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O7S/c1-31-14-15-33-20(28)10-9-19(27)25-23(34)26-12-11-24-22(30)18(26)16-21(29)32-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3,(H,24,30)(H,25,27,34)