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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-fluoranyl-N-propyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-fluoro-N-propyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide Traditional Name: 4-fluoro-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-N-propyl-benzamide Formula: C26H27FN2O4S MolecularWeight: 482.566983

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN2O4S/c1-3-11-28(26(31)20-5-7-21(27)8-6-20)16-25(30)29(15-24-18(2)10-12-34-24)14-19-4-9-22-23(13-19)33-17-32-22/h4-10,12-13H,3,11,14-17H2,1-2H3