oxolan-2-ylmethyl 2-[3-oxidanylidene-1-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: oxolan-2-ylmethyl 2-[3-oxidanylidene-1-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[3-oxo-1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[3-oxo-1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[4-(2-phenoxyethoxy)benzoyl]thiocarbamoyl]piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C27H31N3O7S MolecularWeight: 541.61594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC=C(C=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC=C(C=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O7S/c31-24(37-18-22-7-4-14-34-22)17-23-26(33)28-12-13-30(23)27(38)29-25(32)19-8-10-21(11-9-19)36-16-15-35-20-5-2-1-3-6-20/h1-3,5-6,8-11,22-23H,4,7,12-18H2,(H,28,33)(H,29,32,38)