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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCC3=CC=CO3

InChI

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