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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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