4-(furan-2-ylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S/c21-20(22)14-4-1-3-13(11-14)17-16(24)19-8-6-18(7-9-19)12-15-5-2-10-23-15/h1-5,10-11H,6-9,12H2,(H,17,24)