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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-bromanyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-4-bromo-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-bromobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-bromobenzamide Traditional Name: 4-bromo-N-(4-methyl-5-piperonyl-thiazol-2-yl)benzamide Formula: C19H15BrN2O3S MolecularWeight: 431.303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O3S/c1-11-17(9-12-2-7-15-16(8-12)25-10-24-15)26-19(21-11)22-18(23)13-3-5-14(20)6-4-13/h2-8H,9-10H2,1H3,(H,21,22,23)