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

Systemtic Name: propan-2-yl 2-[1-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[1-[(3-bromo-4-ethoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[1-[(3-bromo-4-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C19H24BrN3O5S MolecularWeight: 486.37996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C)Br

InChI

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