ethyl 2-[(4-bromophenyl)carbamothioyl]pyrazolidine-1-carboxylate

Systemtic Name: ethyl 2-[(4-bromophenyl)carbamothioyl]pyrazolidine-1-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)carbamothioyl]pyrazolidine-1-carboxylate CAS Name: 2-[(4-bromoanilino)-sulfanylidenemethyl]-1-pyrazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)carbamothioyl]pyrazolidine-1-carboxylate Traditional Name: 2-[(4-bromophenyl)thiocarbamoyl]pyrazolidine-1-carboxylic acid ethyl ester Formula: C13H16BrN3O2S MolecularWeight: 358.25404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCN1C(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)N1CCCN1C(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3O2S/c1-2-19-13(18)17-9-3-8-16(17)12(20)15-11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,15,20)