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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-chloroanilino)-oxomethyl]-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(3-chlorophenyl)carbamoyl-cyclopropyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O4S/c26-18-3-1-4-19(12-18)27-25(31)29(20-7-8-20)15-24(30)28(14-21-5-2-10-34-21)13-17-6-9-22-23(11-17)33-16-32-22/h1-6,9-12,20H,7-8,13-16H2,(H,27,31)