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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butyl-2-fluoranyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-butyl-2-fluoro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-butyl-2-fluorobenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butyl-2-fluorobenzamide Traditional Name: N-butyl-2-fluoro-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]benzamide Formula: C27H29FN2O4S MolecularWeight: 496.593563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H29FN2O4S/c1-3-4-12-29(27(32)21-7-5-6-8-22(21)28)17-26(31)30(16-25-19(2)11-13-35-25)15-20-9-10-23-24(14-20)34-18-33-23/h5-11,13-14H,3-4,12,15-18H2,1-2H3