ethyl 2-[1-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(5-bromo-2-isopropoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(5-bromo-2-propan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(5-bromo-2-propan-2-yloxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(5-bromo-2-isopropoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C19H24BrN3O5S MolecularWeight: 486.37996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O5S/c1-4-27-16(24)10-14-18(26)21-7-8-23(14)19(29)22-17(25)13-9-12(20)5-6-15(13)28-11(2)3/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,21,26)(H,22,25,29)