N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)carbamoyl-propan-2-yl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)carbamoyl-propan-2-yl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)carbamoyl-isopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-fluoroanilino)-oxomethyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)carbamoyl-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(3-fluorophenyl)carbamoyl-isopropyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C25H26FN3O4S MolecularWeight: 483.555043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN3O4S/c1-17(2)29(25(31)27-20-6-3-5-19(26)12-20)15-24(30)28(14-21-7-4-10-34-21)13-18-8-9-22-23(11-18)33-16-32-22/h3-12,17H,13-16H2,1-2H3,(H,27,31)