4-(1,3-benzodioxol-5-ylmethyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperazine-1-carbothioamide Traditional Name: N-[(E)-(5-nitro-2-furyl)methyleneamino]-4-piperonyl-piperazine-1-carbothioamide Formula: C18H19N5O5S MolecularWeight: 417.43896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NN=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)N/N=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5S/c24-23(25)17-4-2-14(28-17)10-19-20-18(29)22-7-5-21(6-8-22)11-13-1-3-15-16(9-13)27-12-26-15/h1-4,9-10H,5-8,11-12H2,(H,20,29)/b19-10+