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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-bromanyl-N-cyclopropyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-bromo-N-cyclopropyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-bromo-N-cyclopropylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-bromo-N-cyclopropylbenzamide Traditional Name: 4-bromo-N-cyclopropyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]benzamide Formula: C25H23BrN2O4S MolecularWeight: 527.43012

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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)C5=CC=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2O4S/c26-19-6-4-18(5-7-19)25(30)28(20-8-9-20)15-24(29)27(14-21-2-1-11-33-21)13-17-3-10-22-23(12-17)32-16-31-22/h1-7,10-12,20H,8-9,13-16H2