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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-4-nitro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-4-nitrobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-4-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-4-nitro-benzamide Formula: C27H19N3O5S2 MolecularWeight: 529.58686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19N3O5S2/c1-15-23(13-16-6-11-20-21(12-16)35-14-34-20)37-27(24(15)26-28-19-4-2-3-5-22(19)36-26)29-25(31)17-7-9-18(10-8-17)30(32)33/h2-12H,13-14H2,1H3,(H,29,31)