decyl 2-[1-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[1-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-[(5-bromo-2-ethoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(5-bromo-2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[(5-bromo-2-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(5-bromo-2-ethoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C26H38BrN3O5S MolecularWeight: 584.56602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38BrN3O5S/c1-3-5-6-7-8-9-10-11-16-35-23(31)18-21-25(33)28-14-15-30(21)26(36)29-24(32)20-17-19(27)12-13-22(20)34-4-2/h12-13,17,21H,3-11,14-16,18H2,1-2H3,(H,28,33)(H,29,32,36)