N-(4-chlorophenyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-(4-chlorophenyl)-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(4-chlorophenyl)-3-oxopiperazine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-3-keto-piperazine-1-carbothioamide Formula: C11H12ClN3OS MolecularWeight: 269.75048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClN3OS/c12-8-1-3-9(4-2-8)14-11(17)15-6-5-13-10(16)7-15/h1-4H,5-7H2,(H,13,16)(H,14,17)