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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-5-nitro-thiophene-2-carboxamide Formula: C25H17N3O5S3 MolecularWeight: 535.61458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(S4)[N+](=O)[O-])CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(S4)[N+](=O)[O-])CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H17N3O5S3/c1-13-20(11-14-6-7-16-17(10-14)33-12-32-16)36-25(27-23(29)19-8-9-21(34-19)28(30)31)22(13)24-26-15-4-2-3-5-18(15)35-24/h2-10H,11-12H2,1H3,(H,27,29)