2-(4-bromophenyl)carbonyl-N-propyl-pyrazolidine-1-carbothioamide

Systemtic Name: 2-(4-bromophenyl)carbonyl-N-propyl-pyrazolidine-1-carbothioamide Openeye Name: 2-(4-bromobenzoyl)-N-propyl-pyrazolidine-1-carbothioamide CAS Name: 2-[(4-bromophenyl)-oxomethyl]-N-propyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-(4-bromobenzoyl)-N-propylpyrazolidine-1-carbothioamide Traditional Name: 2-(4-bromobenzoyl)-N-propyl-pyrazolidine-1-carbothioamide Formula: C14H18BrN3OS MolecularWeight: 356.28122

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCCN1C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCNC(=S)N1CCCN1C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrN3OS/c1-2-8-16-14(20)18-10-3-9-17(18)13(19)11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,20)