propan-2-yl 2-[1-[[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[1-[[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[1-[(3-bromo-4-isopentyloxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[3-bromo-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[1-[[3-bromo-4-(3-methylbutoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-isoamoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C22H30BrN3O5S MolecularWeight: 528.4597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C)Br

InChI

InChI=1S/C22H30BrN3O5S/c1-13(2)7-10-30-18-6-5-15(11-16(18)23)20(28)25-22(32)26-9-8-24-21(29)17(26)12-19(27)31-14(3)4/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,24,29)(H,25,28,32)