N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-4-fluoranyl-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-4-fluoranyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-cyclopropyl-4-fluoro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide Traditional Name: N-cyclopropyl-4-fluoro-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]benzamide Formula: C26H25FN2O4S MolecularWeight: 480.551103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CC4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CC4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H25FN2O4S/c1-17-10-11-34-24(17)14-28(13-18-2-9-22-23(12-18)33-16-32-22)25(30)15-29(21-7-8-21)26(31)19-3-5-20(27)6-4-19/h2-6,9-12,21H,7-8,13-16H2,1H3