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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-4-cyano-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-4-cyano-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-4-cyanobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-4-cyanobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-4-cyano-benzamide Formula: C28H19N3O3S2 MolecularWeight: 509.59876

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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)C#N)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(C=C4)C#N)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H19N3O3S2/c1-16-24(13-18-8-11-21-22(12-18)34-15-33-21)36-28(31-26(32)19-9-6-17(14-29)7-10-19)25(16)27-30-20-4-2-3-5-23(20)35-27/h2-12H,13,15H2,1H3,(H,31,32)