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

Systemtic Name: ethyl 2-[1-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(3-bromo-4-isobutoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-isobutoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C20H26BrN3O5S MolecularWeight: 500.40654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN3O5S/c1-4-28-17(25)10-15-19(27)22-7-8-24(15)20(30)23-18(26)13-5-6-16(14(21)9-13)29-11-12(2)3/h5-6,9,12,15H,4,7-8,10-11H2,1-3H3,(H,22,27)(H,23,26,30)