2-methylpropyl 2-[1-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[1-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[1-[(3-isobutoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-[[3-(2-methylpropoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-isobutoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isobutyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC(C)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC(C)C

InChI

InChI=1S/C22H31N3O5S/c1-14(2)12-29-17-7-5-6-16(10-17)20(27)24-22(31)25-9-8-23-21(28)18(25)11-19(26)30-13-15(3)4/h5-7,10,14-15,18H,8-9,11-13H2,1-4H3,(H,23,28)(H,24,27,31)