N-(3-cyanophenyl)-4-methanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(3-cyanophenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(3-cyanophenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-4-formyl-piperazine-1-carbothioamide Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCN1C=O)C(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H14N4OS/c14-9-11-2-1-3-12(8-11)15-13(19)17-6-4-16(10-18)5-7-17/h1-3,8,10H,4-7H2,(H,15,19)