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

Systemtic Name: methyl 2-[1-[(2-bromophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[1-[(2-bromobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2-bromobenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C15H16BrN3O4S MolecularWeight: 414.27424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O4S/c1-23-12(20)8-11-14(22)17-6-7-19(11)15(24)18-13(21)9-4-2-3-5-10(9)16/h2-5,11H,6-8H2,1H3,(H,17,22)(H,18,21,24)