N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-N-(oxolan-2-ylmethyl)benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-3-bromo-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-3-bromo-N-(2-oxolanylmethyl)benzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-bromo-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-bromo-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-N-(tetrahydrofurfuryl)benzamide Formula: C28H29BrN2O5S MolecularWeight: 585.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(CC4CCCO4)C(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(CC4CCCO4)C(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H29BrN2O5S/c1-19-9-11-37-26(19)16-30(14-20-7-8-24-25(12-20)36-18-35-24)27(32)17-31(15-23-6-3-10-34-23)28(33)21-4-2-5-22(29)13-21/h2,4-5,7-9,11-13,23H,3,6,10,14-18H2,1H3