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

Systemtic Name: oxolan-2-ylmethyl 2-[1-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[1-[(4-isopentyloxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[1-[[4-(3-methylbutoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-isoamoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3

InChI

InChI=1S/C24H33N3O6S/c1-16(2)9-13-32-18-7-5-17(6-8-18)22(29)26-24(34)27-11-10-25-23(30)20(27)14-21(28)33-15-19-4-3-12-31-19/h5-8,16,19-20H,3-4,9-15H2,1-2H3,(H,25,30)(H,26,29,34)