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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-1,3-benzothiazole-2-carboxamide Formula: C22H15N3O3S2 MolecularWeight: 433.5028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H15N3O3S2/c1-12-14(10-23)21(25-20(26)22-24-15-4-2-3-5-18(15)29-22)30-19(12)9-13-6-7-16-17(8-13)28-11-27-16/h2-8H,9,11H2,1H3,(H,25,26)