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

Systemtic Name: decyl 2-[1-[(3-bromanyl-4-phenethyloxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-[(3-bromo-4-phenethyloxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-bromo-4-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[(3-bromo-4-phenethyloxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-phenethyloxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C32H42BrN3O5S MolecularWeight: 660.66198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C32H42BrN3O5S/c1-2-3-4-5-6-7-8-12-20-41-29(37)23-27-31(39)34-18-19-36(27)32(42)35-30(38)25-15-16-28(26(33)22-25)40-21-17-24-13-10-9-11-14-24/h9-11,13-16,22,27H,2-8,12,17-21,23H2,1H3,(H,34,39)(H,35,38,42)