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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[3-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethoxy)ethyl]piperazin-1-yl]carbothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[3-oxo-2-[2-oxo-2-(tetrahydrofuran-2-ylmethoxy)ethyl]piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-[2-oxo-2-(2-oxolanylmethoxy)ethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-oxo-2-[2-oxo-2-(oxolan-2-ylmethoxy)ethyl]piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-keto-4-[[3-keto-2-[2-keto-2-(tetrahydrofurfuryloxy)ethyl]piperazine-1-carbothioyl]amino]butyric acid phenethyl ester Formula: C24H31N3O7S MolecularWeight: 505.58384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O7S/c28-20(8-9-21(29)33-14-10-17-5-2-1-3-6-17)26-24(35)27-12-11-25-23(31)19(27)15-22(30)34-16-18-7-4-13-32-18/h1-3,5-6,18-19H,4,7-16H2,(H,25,31)(H,26,28,35)