N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-tert-butyl-N-cyclopropyl-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-tert-butyl-N-cyclopropyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-tert-butyl-N-cyclopropyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-tert-butyl-N-cyclopropylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-tert-butyl-N-cyclopropylbenzamide Traditional Name: 4-tert-butyl-N-cyclopropyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]benzamide Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

InChI

InChI=1S/C29H32N2O4S/c1-29(2,3)22-9-7-21(8-10-22)28(33)31(23-11-12-23)18-27(32)30(17-24-5-4-14-36-24)16-20-6-13-25-26(15-20)35-19-34-25/h4-10,13-15,23H,11-12,16-19H2,1-3H3