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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-cyanoanilino)-oxomethyl]-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyanophenyl)carbamoyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H24N4O4S MolecularWeight: 488.55816

Click to see the large picture

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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O4S/c27-13-18-3-1-4-20(11-18)28-26(32)30(21-7-8-21)16-25(31)29(15-22-5-2-10-35-22)14-19-6-9-23-24(12-19)34-17-33-23/h1-6,9-12,21H,7-8,14-17H2,(H,28,32)