3-(3-oxidanylidenepiperazin-1-yl)carbonylbenzenecarbothioamide

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-yl)carbonylbenzenecarbothioamide Openeye Name: 3-(3-oxopiperazine-1-carbonyl)benzenecarbothioamide CAS Name: 3-[oxo-(3-oxo-1-piperazinyl)methyl]benzenecarbothioamide IUPAC Name: 3-(3-oxopiperazine-1-carbonyl)benzenecarbothioamide Traditional Name: 3-(3-ketopiperazine-1-carbonyl)thiobenzamide Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=CC(=CC=C2)C(=S)N

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=CC(=CC=C2)C(=S)N

InChI

InChI=1S/C12H13N3O2S/c13-11(18)8-2-1-3-9(6-8)12(17)15-5-4-14-10(16)7-15/h1-3,6H,4-5,7H2,(H2,13,18)(H,14,16)