N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[isobutyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-[oxo-[3-(trifluoromethyl)anilino]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[isobutyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C27H28F3N3O4S MolecularWeight: 547.58913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C27H28F3N3O4S/c1-18(2)13-33(26(35)31-21-6-3-5-20(12-21)27(28,29)30)16-25(34)32(15-22-7-4-10-38-22)14-19-8-9-23-24(11-19)37-17-36-23/h3-12,18H,13-17H2,1-2H3,(H,31,35)