4-(4-chloranyl-2-nitro-phenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O3S/c17-12-3-4-14(15(10-12)21(22)23)19-5-7-20(8-6-19)16(25)18-11-13-2-1-9-24-13/h1-4,9-10H,5-8,11H2,(H,18,25)