3-chloranyl-6-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzothiophene-2-carboxamide Formula: C18H12ClN3O5S MolecularWeight: 417.82298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)Cl

InChI

InChI=1S/C18H12ClN3O5S/c1-9-2-3-11-15(4-9)28-17(16(11)19)18(23)21-20-7-10-5-13-14(27-8-26-13)6-12(10)22(24)25/h2-7H,8H2,1H3,(H,21,23)/b20-7+