oxolan-2-ylmethyl 2-[1-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: oxolan-2-ylmethyl 2-[1-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[1-[(5-bromo-2-phenethyloxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[1-[(5-bromo-2-phenethyloxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(5-bromo-2-phenethyloxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C27H30BrN3O6S MolecularWeight: 604.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H30BrN3O6S/c28-19-8-9-23(36-14-10-18-5-2-1-3-6-18)21(15-19)25(33)30-27(38)31-12-11-29-26(34)22(31)16-24(32)37-17-20-7-4-13-35-20/h1-3,5-6,8-9,15,20,22H,4,7,10-14,16-17H2,(H,29,34)(H,30,33,38)