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

Systemtic Name: 4-(furan-2-ylmethyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C17H20N4O4S/c1-24-16-11-13(21(22)23)4-5-15(16)18-17(26)20-8-6-19(7-9-20)12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3,(H,18,26)