N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbamoyl-cyclopropyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbamoyl-cyclopropyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbamoyl-cyclopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-bromoanilino)-oxomethyl]-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbamoyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(4-bromophenyl)carbamoyl-cyclopropyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C25H24BrN3O4S MolecularWeight: 542.44476

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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)NC5=CC=C(C=C5)Br

Isomeric SMILES

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H24BrN3O4S/c26-18-4-6-19(7-5-18)27-25(31)29(20-8-9-20)15-24(30)28(14-21-2-1-11-34-21)13-17-3-10-22-23(12-17)33-16-32-22/h1-7,10-12,20H,8-9,13-16H2,(H,27,31)