2-methylpropyl 2-[1-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[1-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[1-[(5-bromo-2-isopropoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(5-bromo-2-propan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-[(5-bromo-2-propan-2-yloxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(5-bromo-2-isopropoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isobutyl ester Formula: C21H28BrN3O5S MolecularWeight: 514.43312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

Isomeric SMILES

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

InChI

InChI=1S/C21H28BrN3O5S/c1-12(2)11-29-18(26)10-16-20(28)23-7-8-25(16)21(31)24-19(27)15-9-14(22)5-6-17(15)30-13(3)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3,(H,23,28)(H,24,27,31)