2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]-cyclopropylamino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-(2-thenyl)acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC1N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H24N4O2S/c26-15-20-8-4-9-21(14-20)27-25(31)29(22-11-12-22)18-24(30)28(17-23-10-5-13-32-23)16-19-6-2-1-3-7-19/h1-10,13-14,22H,11-12,16-18H2,(H,27,31)