N-(3-bromophenyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(3-bromophenyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-(3-bromophenyl)-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(3-bromophenyl)-3-oxopiperazine-1-carbothioamide Traditional Name: N-(3-bromophenyl)-3-keto-piperazine-1-carbothioamide Formula: C11H12BrN3OS MolecularWeight: 314.20148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C11H12BrN3OS/c12-8-2-1-3-9(6-8)14-11(17)15-5-4-13-10(16)7-15/h1-3,6H,4-5,7H2,(H,13,16)(H,14,17)