N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-fluoroanilino)-oxomethyl]-[2-(1-pyrrolidinyl)ethyl]amino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(3-fluorophenyl)carbamoyl-(2-pyrrolidinoethyl)amino]-N-[(3-methyl-2-thienyl)methyl]-N-piperonyl-acetamide Formula: C29H33FN4O4S MolecularWeight: 552.660123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(CCN4CCCC4)C(=O)NC5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(CCN4CCCC4)C(=O)NC5=CC(=CC=C5)F

InChI

InChI=1S/C29H33FN4O4S/c1-21-9-14-39-27(21)18-34(17-22-7-8-25-26(15-22)38-20-37-25)28(35)19-33(13-12-32-10-2-3-11-32)29(36)31-24-6-4-5-23(30)16-24/h4-9,14-16H,2-3,10-13,17-20H2,1H3,(H,31,36)