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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-cyano-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-4-cyano-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-cyanobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-cyanobenzamide Traditional Name: 4-cyano-N-(4-methyl-5-piperonyl-thiazol-2-yl)benzamide Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)C#N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)C#N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H15N3O3S/c1-12-18(9-14-4-7-16-17(8-14)26-11-25-16)27-20(22-12)23-19(24)15-5-2-13(10-21)3-6-15/h2-8H,9,11H2,1H3,(H,22,23,24)