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

Systemtic Name: propan-2-yl 2-[1-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[1-[(3-bromo-4-hexoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[1-[(3-bromo-4-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-hexoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C23H32BrN3O5S MolecularWeight: 542.48628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C)Br

InChI

InChI=1S/C23H32BrN3O5S/c1-4-5-6-7-12-31-19-9-8-16(13-17(19)24)21(29)26-23(33)27-11-10-25-22(30)18(27)14-20(28)32-15(2)3/h8-9,13,15,18H,4-7,10-12,14H2,1-3H3,(H,25,30)(H,26,29,33)