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

Systemtic Name: oxolan-2-ylmethyl 2-[3-oxidanylidene-1-[(4-phenylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-phenylbenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5S/c29-22(33-16-20-7-4-14-32-20)15-21-24(31)26-12-13-28(21)25(34)27-23(30)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-21H,4,7,12-16H2,(H,26,31)(H,27,30,34)