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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-bromanyl-3,5-dimethoxy-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-4-bromo-3,5-dimethoxy-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-bromo-3,5-dimethoxybenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-bromo-3,5-dimethoxybenzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-(4-methyl-5-piperonyl-thiazol-2-yl)benzamide Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O5S/c1-11-18(7-12-4-5-14-15(6-12)29-10-28-14)30-21(23-11)24-20(25)13-8-16(26-2)19(22)17(9-13)27-3/h4-6,8-9H,7,10H2,1-3H3,(H,23,24,25)