2-methoxyethyl 2-[1-[(2-bromophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[1-[(2-bromophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[(2-bromobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[(2-bromobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2-bromobenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C17H20BrN3O5S MolecularWeight: 458.3268

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C17H20BrN3O5S/c1-25-8-9-26-14(22)10-13-16(24)19-6-7-21(13)17(27)20-15(23)11-4-2-3-5-12(11)18/h2-5,13H,6-10H2,1H3,(H,19,24)(H,20,23,27)