N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanylthiophen-2-yl)methoxy]-3-methoxy-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanylthiophen-2-yl)methoxy]-3-methoxy-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-thienyl)methoxy]-3-methoxy-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-thiophenyl)methoxy]-3-methoxybenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromothiophen-2-yl)methoxy]-3-methoxybenzamide Traditional Name: 4-[(5-bromo-2-thienyl)methoxy]-3-methoxy-N-piperonyl-benzamide Formula: C21H18BrNO5S MolecularWeight: 476.34032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)OCC4=CC=C(S4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)OCC4=CC=C(S4)Br

InChI

InChI=1S/C21H18BrNO5S/c1-25-18-9-14(3-6-16(18)26-11-15-4-7-20(22)29-15)21(24)23-10-13-2-5-17-19(8-13)28-12-27-17/h2-9H,10-12H2,1H3,(H,23,24)