propyl 2-[1-[[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

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