N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-sec-butyl-1,3-benzodioxole-5-carboxamide CAS Name: N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[(4-fluorobenzyl)-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-sec-butyl-piperonylamide Formula: C27H29FN2O4S MolecularWeight: 496.593563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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