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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-5-nitro-furan-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-5-nitro-2-furamide Formula: C25H17N3O6S2 MolecularWeight: 519.54898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(O4)[N+](=O)[O-])CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(O4)[N+](=O)[O-])CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H17N3O6S2/c1-13-20(11-14-6-7-16-18(10-14)33-12-32-16)36-25(27-23(29)17-8-9-21(34-17)28(30)31)22(13)24-26-15-4-2-3-5-19(15)35-24/h2-10H,11-12H2,1H3,(H,27,29)