N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)cyclopentanecarboxamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)cyclopentanecarboxamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(2-pyrrolidin-1-ylethyl)cyclopentanecarboxamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-[2-(1-pyrrolidinyl)ethyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclopentanecarboxamide Traditional Name: N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-N-(2-pyrrolidinoethyl)cyclopentanecarboxamide Formula: C28H37N3O4S MolecularWeight: 511.67608

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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)C5CCCC5

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(CCN4CCCC4)C(=O)C5CCCC5

InChI

InChI=1S/C28H37N3O4S/c1-21-10-15-36-26(21)18-31(17-22-8-9-24-25(16-22)35-20-34-24)27(32)19-30(14-13-29-11-4-5-12-29)28(33)23-6-2-3-7-23/h8-10,15-16,23H,2-7,11-14,17-20H2,1H3