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

Systemtic Name: (phenylmethyl) 2-[1-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-[(3-bromo-4-propoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-bromo-4-propoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[(3-bromo-4-propoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-propoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C24H26BrN3O5S MolecularWeight: 548.44934

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H26BrN3O5S/c1-2-12-32-20-9-8-17(13-18(20)25)22(30)27-24(34)28-11-10-26-23(31)19(28)14-21(29)33-15-16-6-4-3-5-7-16/h3-9,13,19H,2,10-12,14-15H2,1H3,(H,26,31)(H,27,30,34)