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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-cyclohexyl-2-fluoranyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-cyclohexyl-2-fluoro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-cyclohexyl-2-fluorobenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclohexyl-2-fluorobenzamide Traditional Name: N-cyclohexyl-2-fluoro-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]benzamide Formula: C29H31FN2O4S MolecularWeight: 522.630843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CCCCC4)C(=O)C5=CC=CC=C5F

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CCCCC4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C29H31FN2O4S/c1-20-13-14-37-27(20)17-31(16-21-11-12-25-26(15-21)36-19-35-25)28(33)18-32(22-7-3-2-4-8-22)29(34)23-9-5-6-10-24(23)30/h5-6,9-15,22H,2-4,7-8,16-19H2,1H3