N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-5-nitro-benzothiophene-2-carboxamide Formula: C23H15N3O5S2 MolecularWeight: 477.5123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H15N3O5S2/c1-12-16(10-24)23(33-20(12)7-13-2-4-17-18(6-13)31-11-30-17)25-22(27)21-9-14-8-15(26(28)29)3-5-19(14)32-21/h2-6,8-9H,7,11H2,1H3,(H,25,27)