4-(4-isothiocyanatophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-isothiocyanatophenyl)piperazine-1-carboxamide Openeye Name: 4-(4-isothiocyanatophenyl)piperazine-1-carboxamide CAS Name: 4-(4-isothiocyanatophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-isothiocyanatophenyl)piperazine-1-carboxamide Traditional Name: 4-(4-isothiocyanatophenyl)piperazine-1-carboxamide Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)N=C=S)C(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)N=C=S)C(=O)N

InChI

InChI=1S/C12H14N4OS/c13-12(17)16-7-5-15(6-8-16)11-3-1-10(2-4-11)14-9-18/h1-4H,5-8H2,(H2,13,17)