N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-3-phenyl-propanamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-3-phenyl-propanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-cyclopropyl-3-phenyl-propanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-phenylpropanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-phenylpropanamide Traditional Name: N-cyclopropyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-3-phenyl-propionamide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O4S/c30-26(13-9-20-5-2-1-3-6-20)29(22-10-11-22)18-27(31)28(17-23-7-4-14-34-23)16-21-8-12-24-25(15-21)33-19-32-24/h1-8,12,14-15,22H,9-11,13,16-19H2