N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-N-isobutyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[(4-fluorobenzyl)-(2-thenyl)amino]-2-keto-ethyl]-N-isobutyl-piperonylamide Formula: C26H27FN2O4S MolecularWeight: 482.566983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H27FN2O4S/c1-18(2)13-29(26(31)20-7-10-23-24(12-20)33-17-32-23)16-25(30)28(15-22-4-3-11-34-22)14-19-5-8-21(27)9-6-19/h3-12,18H,13-17H2,1-2H3