2-methoxyethyl 2-[1-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[1-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[(2-isopentyloxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[[2-(3-methylbutoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2-isoamoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

InChI

InChI=1S/C22H31N3O6S/c1-15(2)8-11-30-18-7-5-4-6-16(18)20(27)24-22(32)25-10-9-23-21(28)17(25)14-19(26)31-13-12-29-3/h4-7,15,17H,8-14H2,1-3H3,(H,23,28)(H,24,27,32)