2-methylpropyl 2-[1-[(3-butan-2-yloxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC(C)C

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC(C)C

InChI

InChI=1S/C22H31N3O5S/c1-5-15(4)30-17-8-6-7-16(11-17)20(27)24-22(31)25-10-9-23-21(28)18(25)12-19(26)29-13-14(2)3/h6-8,11,14-15,18H,5,9-10,12-13H2,1-4H3,(H,23,28)(H,24,27,31)